SCHEMBL10179239

SCHEMBL10179239

COc1ccc(Cl)c(-c2ccc3ncc(N4CCCCC4)nc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PTPN11 Q06124 2/20 0.45
▸ PIK3CA P42336 1/20 0.44
▸ MAOB P27338 1/20 0.43
▸ APP P05067 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ SRC P12931 1/20 0.41
▸ HRH4 Q9H3N8 2/20 0.40
▸ GFER P55789 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL10179693 0.89 ALDH1A1 (0.51) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL1442181 0.88 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL1442235 0.87 ALDH1A1 (0.47) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL1441904 0.87 MAPT (0.49) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL1442014 0.87 ALDH1A1 (0.49) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL1443358 0.85 PTPN11 (0.47) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL1442626 0.85 CNR2 (0.50) RAB9ANPC1MAPTSMN1; SMN2PTPN11
SCHEMBL27882019 0.83 PIK3CA (0.48) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL1442929 0.83 ALDH1A1 (0.49) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL13276521 0.82 ALDH1A1 (0.60) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2

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
EP-2473498-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2012-07-11 — — EP 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-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
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 ALDH1A1 3857/4885RAB9A 1365/4885NPC1 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