SCHEMBL63014

SCHEMBL63014

[c]1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
IDO1 P14902 1/20 0.39
METAP2 P50579 1/20 0.39
KEAP1 Q14145 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
CYP1A2 P05177 2/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL4047707 0.96 AKT1 (0.42) RAB9AKMT2AMEN1AKT1AKT2
SCHEMBL4049981 0.86 KMO (0.40) RAB9AKMT2AMEN1AKT1AKT2
SCHEMBL4046965 0.85 MEN1 (0.57) RAB9AKMT2AMEN1AKT1AKT2
SCHEMBL4051854 0.84 ASIC3 (0.46) CYP1A2NPC1ALDH1A1KDM4EADORA2A
SCHEMBL27577279 0.83 NPC1 (0.46) RAB9ANPC1
SCHEMBL4050082 0.82 CYP1A2 (0.41) RAB9AKMT2AMEN1AKT1AKT2
SCHEMBL4046262 0.82 MKNK1 (0.41) AKT1AKT2GABRA1GABRG2GABRB3
SCHEMBL4049452 0.82 ASIC3 (0.47) RAB9AKMT2AMEN1L3MBTL1CYP1A2
SCHEMBL7179987 0.80 LMNA (0.42) RAB9AKMT2AIDO1CYP1A2NPC1
SCHEMBL4046110 0.78 RAB9A (0.37) RAB9AKMT2AMEN1NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-10-26 US claimed
CN-116806149-A Methods and compositions for treating pathological conditions involving neovascularization using IDO 1-dependent angiogenic cells 兰肯瑙医学研究所 2023-09-26 CN claimed
CN-111961198-A Halogen-free flame-retardant toughening agent and preparation method and application thereof 桂林理工大学 2020-11-20 CN claimed
EP-2509979-B1 HETEROCYCLIC COMPOUNDS CONTAINING A PYRROLOPYRIDINE OR BENZIMIDAZOLE CORE BOEHRINGER INGELHEIM INT (DE) 2016-05-25 EP claimed
EP-2694509-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN-RELATED KINASES PFIZER LTD (GB) 2016-05-18 EP claimed
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP claimed
CN-104507910-A Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO LTD 2015-04-08 CN claimed
US-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2014-12-11 US claimed
US-8846698-B2 Pyrrolo[2,3-d]pyrimidine tropomysin-related kinase inhibitors PFIZER LIMITED (US) 2014-09-30 US claimed
EP-2635562-B1 PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2014-09-03 EP claimed
EP-0716093-B1 Erythromycin derivatives, their process of preparation and application as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-21 EP claimed
US-5786339-A Erythromycins ROUSSEL UCLAF (FR) 1998-07-28 US claimed
WO-1998008813-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PYRROLIDINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO claimed
US-5654326-A SEPTIC SHOCK; HUMAN NONPANCREATIC SECRETORY PHOSPHOLIPASE ELI LILLY AND COMPANY (US) 1997-08-05 US claimed
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP claimed
US-5641800-A ALLEVIATE EFFECT OF SEPTIC SHOCK, ADULT RESPIRATORY DISTRESS SYNDROME, PANCREATITIS, TRAUMA, BRONCHIAL ASTHMA, ALLERGIC RHINITIS, AND RHEUMATOID ARTHRITIS ELI LILLY AND COMPANY (US) 1997-06-24 US claimed
CN-1133291-A Erythromycin derivant and preparation method and usage of medicine thereof ROUSSEL UCLAF (FR) 1996-10-16 CN claimed
EP-0716093-A1 Erythromycin derivatives, their process of preparation and application as medicaments ROUSSEL UCLAF (FR) 1996-06-12 EP claimed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO claimed
US-5330992-A Anticarcinogenic agents STERLING WINTHROP INC. (US) 1994-07-19 US claimed

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

For each of this compound's patents that has machine-readable text (2 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-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS CSNK1A1, CSNK1D, CSNK1G1 RAB9A 2154/4885KMT2A 3064/4885MEN1 4179/4885
US-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK RAB9A 2360/4885KMT2A 2918/4885MEN1 2925/4885

“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.