SCHEMBL1442348

SCHEMBL1442348

O=C(Nc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1)c1cc2ccccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ HIF1A Q16665 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ PIK3CA P42336 5/20 0.45
▸ EGFR P00533 4/20 0.45
▸ APP P05067 1/20 0.45
▸ IDO1 P14902 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP14 P50281 1/20 0.44
▸ KDM1A O60341 1/20 0.43
▸ RCOR1 Q9UKL0 1/20 0.43
▸ ATR Q13535 1/20 0.43
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CB P42338 1/20 0.42

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 0.86 KDM4E (0.53) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL1443257 0.84 HIF1A (0.56) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL1442578 0.83 RAD52 (0.50) NPC1RAB9ASMN1; SMN2KDM4EHIF1A
SCHEMBL1442442 0.80 MTOR (0.53) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL1444022 0.80 GBA1 (0.62) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL12812024 0.79 NPC1 (0.57) NPC1RAB9ALMNAKDM4EHIF1A
SCHEMBL1443457 0.78 SHMT2 (0.52) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL13276289 0.78 MTOR (0.60) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL1442429 0.78 GBA1 (0.61) KDM4EALDH1A1HSD17B10PIK3CAPIK3CD
SCHEMBL1442104 0.78 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2KDM4EHIF1A

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 8 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
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 NPC1 4167/4885RAB9A 1365/4885SMN1; SMN2 2189/4885

“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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