SCHEMBL4112548

SCHEMBL4112548

CC(=O)Nc1cc(C(C)(C)C)on1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.66
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
MAPK14 Q16539 2/20 0.59
HPGD P15428 1/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
KDR P35968 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
HTT P42858 3/20 0.56
PKM P14618 1/20 0.56
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAPT P10636 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
EPHX2 P34913 2/20 0.54
ATM Q13315 1/20 0.54
FLT3 P36888 1/20 0.52

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
SCHEMBL2951112 0.87 RAB9A (0.77) EGFRNPC1RAB9AMEN1KMT2A
SCHEMBL11119624 0.86 RAB9A (0.62) EGFRNPC1RAB9AMEN1KMT2A
SCHEMBL2259491 0.86 EGFR (0.62) EGFRNPC1RAB9AMEN1KMT2A
SCHEMBL1758718 0.85 EGFR (0.66) EGFRNPC1RAB9AMEN1KMT2A
SCHEMBL9416888 0.84 EGFR (0.47) EGFRNPC1RAB9AMEN1KMT2A
SCHEMBL11158107 0.84 EGFR (0.69) EGFRNPC1RAB9AMEN1KMT2A
SCHEMBL4543722 0.84 EGFR (0.64) EGFRNPC1RAB9AMEN1KMT2A
SCHEMBL9891521 0.84 EGFR (0.64) EGFRNPC1RAB9AMEN1KMT2A
SCHEMBL9893035 0.83 EGFR (0.51) EGFRNPC1RAB9AMEN1KMT2A
SCHEMBL28467424 0.83 EGFR (0.48) EGFRNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119264133-A Selective inhibitor and preparation method and application thereof 首药控股(北京)股份有限公司 2025-01-07 CN disclosed
WO-2024132278-A1 SYNTHESIS, PHARMACOLOGY AND USE OF NEW WATER-SOLUBLE AND SELECTIVE FMS-LIKE TYROSINE KINASE 3 (FLT3) INHIBITORS UNIVERSITÄT REGENSBURG (DE) 2024-06-27 WO disclosed
US-11713321-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2023-08-01 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 US disclosed
EP-3473624-B1 NOVEL IMIDAZOPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER DAEGU GYEONGBUK MEDICAL INNOVATION FOUND (KR) 2022-05-11 EP disclosed
EP-3169671-B1 1-(5-(TERT.-BUTYL)ISOXAZOL-3-YL)-3-(4-((PHENYL)ETHYNYL)PHENYL)UREA DERIVATIVES AND RELATED COMPOUNDS AS FLT3 INHIBITORS FOR TREATING CANCER SUNSHINE LAKE PHARMA CO LTD (CN) 2019-08-21 EP disclosed
EP-2443107-B1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2018-08-08 EP disclosed
EP-2739143-B1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5- MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS FLYNN GARY A (US) 2018-07-11 EP disclosed
WO-2017206962-A1 NOVEL INHIBITOR FOR FLT3 KINASE AND USES THEREOF 合肥中科普瑞昇生物医药科技有限公司 2017-12-07 WO disclosed
US-20130184315-A1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US disclosed
EP-2484342-A1 Hair resiliency / body improver and hair cosmetic Shiseido Company, Limited (JP) 2012-08-08 EP disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20090233975-A1 Hair resiliency/body improver and hair cosmetic SHISEIDO COMPANY, LTD. (JP) 2009-09-17 US disclosed
WO-2009105509-A1 AMINE AND ETHER COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-27 WO disclosed
EP-1911750-A1 AGENT FOR IMPROVEMENT IN BOUNCE/BODY OF HAIR, AND HAIR COSMETIC Shiseido Company, Limited (JP) 2008-04-16 EP disclosed
US-4116671-A HERBICIDES SHIONOGI & CO., LTD. (JP) 1978-09-26 US disclosed
US-4111680-A HERBICIDAL COMPOSITIONS CONTAINING 3-ISOXAZOLYLUREA DERIVATIVES SHIONOGI & CO., LTD. (JP) 1978-09-05 US disclosed
US-4062861-A HERBICIDE SHIONOGI & CO., LTD. (JA) 1977-12-13 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 (7 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-20230203045-A1 INHIBITORS OF NEK7 KINASE NEK7, NEK1, NEK5 EGFR 4664/4885NPC1 377/4885RAB9A 3215/4885
US-11713321-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 EGFR 4553/4885NPC1 414/4885RAB9A 2987/4885
US-20090233975-A1 Hair resiliency/body improver and hair cosmetic MC1R, PNISR, HCRTR1 EGFR 431/4885NPC1 4539/4885RAB9A 3630/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 EGFR 4872/4885NPC1 348/4885RAB9A 3477/4885
US-20130184315-A1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR CNR2, CNR1, GPR52 EGFR 640/4885NPC1 1089/4885RAB9A 2495/4885
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 EGFR 896/4885NPC1 1779/4885RAB9A 2445/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 EGFR 970/4885NPC1 1904/4885RAB9A 2299/4885

“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.