SCHEMBL12812447

SCHEMBL12812447

COc1cccc(-c2ccc3ncc(N4CCCCC4)nc3c2)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.46
▸ HCRTR1 O43613 2/20 0.46
▸ HCRTR2 O43614 2/20 0.46
▸ PIK3CA P42336 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MET P08581 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MAP4K1 Q92918 2/20 0.41
▸ RAF1 P04049 2/20 0.41
▸ BRAF P15056 2/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL12812437 0.90 ATR (0.49) PTPN11HCRTR1HCRTR2PIK3CAALDH1A1
SCHEMBL1442484 0.89 HCRTR1 (0.43) PTPN11HCRTR1HCRTR2PIK3CAALDH1A1
SCHEMBL1442139 0.89 ALDH1A1 (0.47) PTPN11HCRTR1HCRTR2PIK3CAALDH1A1
SCHEMBL1442693 0.88 HCRTR2 (0.45) PTPN11HCRTR1HCRTR2PIK3CAALDH1A1
SCHEMBL27882148 0.87 PIK3CA (0.51) PIK3CAALDH1A1NPC1RAB9AMAPT
SCHEMBL1442175 0.86 PIK3CA (0.50) PIK3CAALDH1A1NPC1RAB9AMAPT
SCHEMBL1443245 0.85 CNR2 (0.49) PTPN11HCRTR1HCRTR2PIK3CAALDH1A1
SCHEMBL27865655 0.85 MAPT (0.44) PTPN11PIK3CAALDH1A1NPC1RAB9A
SCHEMBL27865701 0.85 MAP4K1 (0.52) PTPN11HCRTR1HCRTR2PIK3CAALDH1A1
SCHEMBL1442090 0.82 PDGFRB (0.51) PIK3CAALDH1A1NPC1RAB9AMAPT

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 9 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
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 PTPN11 93/4885HCRTR1 3996/4885HCRTR2 4046/4885

“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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