SCHEMBL3953148

SCHEMBL3953148

CC(C)Nc1nc2ccccc2o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.61
RAB9A P51151 10/20 0.56
NPC1 O15118 9/20 0.56
SMN1; SMN2 Q16637 7/20 0.56
PKM P14618 4/20 0.56
GAA P10253 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 4/20 0.53
CTRB1 P17538 1/20 0.53
HSP90AA1 P07900 1/20 0.50
PCSK9 Q8NBP7 1/20 0.49
TP53 P04637 3/20 0.49
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.49
PIK3CA P42336 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18013092 0.83 ELANE (0.65) ELANERAB9ANPC1SMN1; SMN2PKM
SCHEMBL16972933 0.80 NPC1 (0.54) ELANERAB9ANPC1SMN1; SMN2PKM
SCHEMBL16972931 0.80 NPC1 (0.54) ELANERAB9ANPC1SMN1; SMN2PKM
SCHEMBL19808350 0.80 ELANE (0.59) ELANERAB9ANPC1SMN1; SMN2PKM
SCHEMBL13127921 0.80 NPC1 (0.50) ELANERAB9ANPC1SMN1; SMN2PKM
SCHEMBL11099522 0.80 NPC1 (0.54) ELANERAB9ANPC1SMN1; SMN2PKM
SCHEMBL22561750 0.79 NPC1 (0.49) ELANERAB9ANPC1SMN1; SMN2PKM
SCHEMBL2373205 0.79 NPC1 (0.61) ELANERAB9ANPC1SMN1; SMN2PKM
SCHEMBL2543164 0.78 ELANE (0.55) ELANERAB9ANPC1SMN1; SMN2PKM
SCHEMBL2541599 0.78 NPC1 (0.51) ELANERAB9ANPC1SMN1; SMN2PKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005624-B Pyrimidine benzo five-membered ring CDK inhibitor and preparation method and application thereof 中国药科大学 2025-02-07 CN disclosed
CN-118005624-A Pyrimidine benzo five-membered ring CDK inhibitor and preparation method and application thereof 中国药科大学 2024-05-10 CN disclosed
US-11912714-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-02-27 US disclosed
US-20230151019-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-05-18 US disclosed
EP-4053110-A1 MODIFIER OF FOUR-MEMBERED RING DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2022-09-07 EP disclosed
US-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2022-06-30 US disclosed
US-20210228550-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2021-07-29 US disclosed
WO-2021083246-A1 MODIFIER OF FOUR-MEMBERED RING DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2021-05-06 WO disclosed
US-10945996-B2 Inhibiting germination of clostridium perfringens spores to reduce necrotic enteritis THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2021-03-16 US disclosed
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-20 US disclosed
US-8053438-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2011-11-08 US disclosed
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 US disclosed
US-20110160182-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 US disclosed
US-7932257-B2 Substituted pyrazolo[4,3-d]pyrimidines as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
US-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-03 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 US disclosed
US-7601725-B2 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
WO-2009029617-A1 DIARYLAMINE-SUBSTITUTED QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2009-03-05 WO disclosed
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2007-02-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110160182-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A ELANE 1973/4885RAB9A 734/4885NPC1 3372/4885
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A ELANE 1973/4885RAB9A 734/4885NPC1 3372/4885
US-20230151019-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 ELANE 3860/4885RAB9A 1480/4885NPC1 165/4885
US-10945996-B2 Inhibiting germination of clostridium perfringens spores to reduce necrotic enteritis CASP3, SI, PYCARD ELANE 158/4885RAB9A 4497/4885NPC1 1750/4885
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A ELANE 1973/4885RAB9A 734/4885NPC1 3372/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A ELANE 3757/4885RAB9A 822/4885NPC1 3738/4885
US-11912714-B2 Spiropyrrolidine derived antiviral agents ACE, ACE2, PKD1 ELANE 3520/4885RAB9A 2264/4885NPC1 184/4885
US-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS AURKA, AURKB, AURKC ELANE 4575/4885RAB9A 2785/4885NPC1 2384/4885
US-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME TPX2, AIMP2, CDYL2 ELANE 3063/4885RAB9A 2686/4885NPC1 1722/4885
US-20210228550-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis CASP3, SI, PYCARD ELANE 158/4885RAB9A 4497/4885NPC1 1750/4885
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors AURKA, AURKB, AURKC ELANE 4483/4885RAB9A 2011/4885NPC1 2861/4885
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors MYLK, MYLK2, ROCK1 ELANE 3691/4885RAB9A 1267/4885NPC1 4255/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.