SCHEMBL1442884

SCHEMBL1442884

O=C(Nc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.53
▸ HIF1A Q16665 2/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ GBA1 P04062 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ DGAT1 O75907 3/20 0.51
▸ PIK3CA P42336 1/20 0.51
▸ MTOR P42345 1/20 0.51
▸ PIK3CG P48736 1/20 0.51
▸ MAPT P10636 4/20 0.50
▸ LMNA P02545 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ RAF1 P04049 1/20 0.49
▸ BRAF P15056 1/20 0.49
▸ ATR Q13535 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ CYP1A2 P05177 1/20 0.49

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
SCHEMBL1443257 0.96 HIF1A (0.56) KDM4EHIF1ANPC1ALDH1A1ATM
SCHEMBL12812024 0.92 NPC1 (0.57) KDM4EHIF1ANPC1ALDH1A1ATM
SCHEMBL1442578 0.88 RAD52 (0.50) KDM4EHIF1ANPC1ALDH1A1ATM
SCHEMBL1442855 0.87 MAPT (0.49) NPC1ALDH1A1RAB9AMAPTTP53
SCHEMBL12812449 0.87 BRAF (0.61) KDM4ERAF1BRAF
SCHEMBL1442348 0.86 NPC1 (0.47) KDM4EHIF1ANPC1ALDH1A1RAB9A
SCHEMBL12811787 0.86 HTR2C (0.51) KDM4ENPC1ALDH1A1RAB9AMAPT
SCHEMBL1442442 0.85 MTOR (0.53) GBA1PIK3CAMTORPIK3CG
SCHEMBL1444022 0.85 GBA1 (0.62) KDM4ENPC1ALDH1A1GBA1RAB9A
SCHEMBL1441684 0.85 SLC6A7 (0.51) KDM4ENPC1RAB9AMAPTLMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 — — US claimed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — US claimed
CN-102596932-A Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER SCHERING PHARMA AG 2012-07-18 — — CN claimed
EP-2473498-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2012-07-11 — — EP claimed
WO-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 — — WO claimed
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 — — US disclosed
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 — — US disclosed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — US disclosed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — US disclosed
WO-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 — — 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 (1 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-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS ABL1, TYK2, JAK2 KDM4E 932/4885HIF1A 2989/4885NPC1 4167/4885

“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.

Send feedback