SCHEMBL12812487

SCHEMBL12812487

O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 5/20 0.49
▸ EPAS1 Q99814 5/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ UBE2M P61081 3/20 0.46
▸ DCUN1D1 Q96GG9 3/20 0.46
▸ SRPK1 Q96SB4 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ HTR1A P08908 2/20 0.43
▸ DRD2 P14416 2/20 0.43
▸ KDM4C Q9H3R0 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ FAAH O00519 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
SCHEMBL10179254 0.93 HIF1A (0.56) HIF1AEPAS1KDM4EPOLBSRPK1
SCHEMBL1443280 0.91 DRD2 (0.51) HIF1AEPAS1KDM4EMAPTALDH1A1
SCHEMBL1442923 0.90 DRD2 (0.44) HIF1AEPAS1KDM4EMEN1MAPT
SCHEMBL13276228 0.90 HIF1A (0.57) HIF1AEPAS1KDM4EPOLBUBE2M
SCHEMBL1442810 0.89 HTR1A (0.51) HIF1AEPAS1KDM4EPOLBMEN1
SCHEMBL10178967 0.89 KCNQ2 (0.46) HIF1AEPAS1MEN1MAPTKMT2A
SCHEMBL12812469 0.89 HTR1A (0.44) HIF1AEPAS1MAPTHTR1ADRD2
SCHEMBL27865644 0.89 HTR1A (0.44) HIF1AEPAS1KDM4EMAPTALDH1A1
SCHEMBL12812052 0.89 PSEN1 (0.51) KDM4EMAPTKMT2AALDH1A1HSD17B10
SCHEMBL1442424 0.88 DRD2 (0.47) HIF1AEPAS1HTR1ADRD2FAAH

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
CN-102596932-A Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER SCHERING PHARMA AG 2012-07-18 — — CN 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 HIF1A 2989/4885EPAS1 1421/4885KDM4E 932/4885

“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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