SCHEMBL4823097

SCHEMBL4823097

Nc1ccc2nccc(N)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.66
NCF1 P14598 1/20 0.57
SOS2 Q07890 1/20 0.50
MAPT P10636 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HSP90AA1 P07900 2/20 0.48
HSP90AB1 P08238 2/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
CASP1 P29466 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PARP1 P09874 1/20 0.47
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL30210360 1.00 NR4A2 (0.66) NR4A2NCF1SOS2MAPTKDM4E
Bromide SCHEMBL5989384 0.98 NR4A2 (0.63) NR4A2NCF1SOS2MAPTKDM4E
SCHEMBL30044428 0.83 NR4A2 (0.66) NR4A2NCF1SOS2MAPTKDM4E
SCHEMBL3073397 0.83 NR4A2 (0.66) NR4A2NCF1SOS2MAPTKDM4E
SCHEMBL25398078 0.79 MAPT (0.46) NR4A2NCF1MAPTKDM4EHSP90AA1
SCHEMBL3649184 0.79 NR4A2 (0.52) NR4A2NCF1SOS2MAPTKDM4E
SCHEMBL11159915 0.79 SLC22A12 (0.48) NR4A2NCF1MAPTKDM4EHSP90AA1
SCHEMBL17693565 0.79 MAPT (0.46) NR4A2NCF1MAPTKDM4EHSP90AA1
SCHEMBL4644505 0.79 SMN1; SMN2 (0.51) NR4A2MAPTKDM4EHSP90AA1HSP90AB1
SCHEMBL14242727 0.79 NR4A2 (0.61) NR4A2NCF1SOS2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104203279-B Treatment of brain cancer 阿雷生物药品公司 2018-10-30 CN claimed
CN-105061410-B A kind of Afatinib and its preparation method and application 江苏红豆杉药业有限公司 2018-04-20 CN claimed
EP-0614915-B1 Polymer scale preventive agent SHINETSU CHEMICAL CO (JP) 1998-06-24 EP claimed
EP-4050005-B1 BICYCLIC BET BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC (US) 2024-12-25 EP disclosed
EP-3380469-B1 BICYCLIC BET BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC (US) 2022-03-16 EP disclosed
CN-109381469-B Novel application of quinazoline derivative tyrosine kinase inhibitor 山东轩竹医药科技有限公司 2021-05-18 CN disclosed
CN-106752954-B CCB high sealing water-repellent paint 广东鼎新高新科技股份有限公司 2019-04-02 CN disclosed
CN-109223791-A The treatment of the cancer of the brain 阿雷生物药品公司 2019-01-18 CN disclosed
CN-104203279-B Treatment of brain cancer 阿雷生物药品公司 2018-10-30 CN disclosed
CN-105061410-B A kind of Afatinib and its preparation method and application 江苏红豆杉药业有限公司 2018-04-20 CN disclosed
CN-107556295-A Quinazoline derivant and preparation method thereof 正大天晴药业集团股份有限公司 2018-01-09 CN disclosed
US-20050009815-A1 4-Aminoquinoline compounds DEVITA ROBERT J (US) 2005-01-13 US disclosed
US-6815447-B2 6-N-(2-AMINO-PYRIMIDIN-4-YL)QUINOLINE-6-AMINE DERIVATIVES; ANALGESICS ASTRAZENECA AB (SE) 2004-11-09 US disclosed
EP-1451156-A1 4-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP disclosed
WO-2003045920-A1 4-AMINOQUINOLINE COMPOUNDS MERCK & CO., INC. (US) 2003-06-05 WO disclosed
US-20030055087-A1 Amide derivatives and nociceptin antagonists JAPAN TOBACCO INC. 2003-03-20 US disclosed
US-6410561-B1 ANALGESICS JAPAN TOBACCO INC. (JP) 2002-06-25 US disclosed
EP-1072263-A1 AMIDE DERIVATIVES AND NOCICEPTIN ANTAGONISTS JAPAN TOBACCO INC. (JP) 2001-01-31 EP disclosed
US-5919776-A ANTIINFLAMMATORY AGENT; AUTOIMMUNE DISEASE MERCK & CO., INC. (US) 1999-07-06 US disclosed
WO-1998027815-A1 SUBSTITUTED AMINOQUINOLINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1998-07-02 WO 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 (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-20030055087-A1 Amide derivatives and nociceptin antagonists OPRL1, OPRD1, OPRK1 NR4A2 165/4885NCF1 785/4885SOS2 3904/4885
US-20050009815-A1 4-Aminoquinoline compounds MCHR1, MCHR2, MC5R NR4A2 2037/4885NCF1 4005/4885SOS2 4735/4885

“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.