SCHEMBL12812498

SCHEMBL12812498

O=C(Cc1ccccc1)Nc1ccc(-c2ccc3ncc(N4CCC(F)CC4)nc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 3/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ MAPT P10636 4/20 0.47
▸ SLC2A1 P11166 1/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HCAR2 Q8TDS4 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ NR4A1 P22736 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL1442532 0.91 WNT3A (0.49) WNT3ANPC1RAB9AMCL1MAPT
SCHEMBL1443409 0.91 MAPT (0.56) WNT3ANPC1RAB9AMAPTSLC2A1
SCHEMBL1442104 0.90 SMN1; SMN2 (0.59) WNT3ANPC1RAB9AMAPTSLC2A1
SCHEMBL1442450 0.90 MCHR1 (0.44) WNT3ANPC1RAB9AMCL1MAPT
SCHEMBL1442689 0.90 SMN1; SMN2 (0.56) WNT3ANPC1RAB9AMAPTSLC2A1
SCHEMBL1442323 0.89 MCHR1 (0.47) WNT3ANPC1RAB9AMCL1MAPT
SCHEMBL1443467 0.89 KMT2A (0.54) WNT3ANPC1RAB9AMCL1MAPT
SCHEMBL10178966 0.89 SLC2A1 (0.51) WNT3ANPC1RAB9AMCL1MAPT
SCHEMBL27865680 0.88 WNT3A (0.49) WNT3ANPC1RAB9AMAPTSLC2A1
SCHEMBL1442230 0.88 MCHR1 (0.45) WNT3ANPC1RAB9AMCL1MAPT

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 WNT3A 3920/4885NPC1 4167/4885RAB9A 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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