SCHEMBL1444022

SCHEMBL1444022

O=C(Nc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1)c1ccco1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.62
▸ SHMT2 P34897 1/20 0.54
▸ RAB9A P51151 9/20 0.53
▸ NPC1 O15118 7/20 0.53
▸ SMN1; SMN2 Q16637 6/20 0.53
▸ TP53 P04637 2/20 0.53
▸ PTPN1 P18031 2/20 0.51
▸ PTPN2 P17706 1/20 0.51
▸ PTPN6 P29350 1/20 0.51
▸ PTPN11 Q06124 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ MAPT P10636 4/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ TSHR P16473 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
SCHEMBL1442884 0.85 KDM4E (0.53) GBA1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL1442578 0.84 RAD52 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1442807 0.84 NPC1 (0.47) GBA1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL1443257 0.83 HIF1A (0.56) GBA1RAB9ANPC1SMN1; SMN2PTPN11
SCHEMBL1442442 0.83 MTOR (0.53) GBA1
SCHEMBL1442104 0.83 SMN1; SMN2 (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1442852 0.81 PIK3CA (0.52) KDM4EMAPK1
SCHEMBL1443457 0.81 SHMT2 (0.52) GBA1SHMT2RAB9ANPC1SMN1; SMN2
SCHEMBL13276289 0.81 MTOR (0.60) —
SCHEMBL1442429 0.81 GBA1 (0.61) GBA1SHMT2ALDH1A1KDM4EHSD17B10

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 7 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
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

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 GBA1 3515/4885SHMT2 958/4885RAB9A 1365/4885

“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.

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