SCHEMBL10179693

SCHEMBL10179693

COc1ccc(Cl)c(-c2ccc3ncc(N4CCOCC4)nc3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ GLA P06280 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ CNR2 P34972 3/20 0.49
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ MAPT P10636 2/20 0.47
▸ TSHR P16473 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ PIK3CD O00329 2/20 0.45
▸ PIK3CA P42336 2/20 0.45
▸ PIK3CB P42338 2/20 0.45
▸ MTOR P42345 1/20 0.45

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
SCHEMBL10179239 0.89 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL1442890 0.88 GAK (0.57) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL1442692 0.88 ALDH1A1 (0.51) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL13276777 0.86 ALDH1A1 (0.57) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL1443214 0.86 ALDH1A1 (0.52) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL12812417 0.86 CNR2 (0.52) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL1441914 0.86 CNR2 (0.67) ALDH1A1KDM4ENPC1RAB9AGAA
SCHEMBL27882034 0.84 PIK3CD (0.49) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL1442147 0.83 ALDH1A1 (0.49) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL12812381 0.83 ALDH1A1 (0.60) ALDH1A1KDM4ENPC1RAB9AHPGD

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 3857/4885KDM4E 932/4885NPC1 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.

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