SCHEMBL10179298

SCHEMBL10179298

O=C(CCC1CCCCC1)Nc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ GBA1 P04062 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ LCK P06239 2/20 0.47
▸ HCK P08631 2/20 0.47
▸ SRC P12931 2/20 0.47
▸ KDR P35968 2/20 0.47
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ DGAT1 O75907 1/20 0.40
▸ LDLR P01130 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 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
SCHEMBL1443424 0.96 GBA1 (0.46) ALDH1A1KMT2AGBA1MAPK1LCK
SCHEMBL1442333 0.92 NAMPT (0.51) ALDH1A1KMT2AGBA1MAPK1LCK
SCHEMBL1443356 0.87 NAMPT (0.47) ALDH1A1GBA1NPC1RAB9ANAMPT
SCHEMBL1443875 0.87 BRAF (0.42) ALDH1A1NPC1RAB9ATP53MAPT
SCHEMBL1442445 0.86 GBA1 (0.49) ALDH1A1GBA1NAMPTTP53MAPT
SCHEMBL1442426 0.85 MCHR1 (0.45) NPC1NAMPTMAPT
SCHEMBL1443446 0.85 BRAF (0.41) ALDH1A1NPC1RAB9ATP53MAPT
SCHEMBL10180359 0.85 NCOA1 (0.49) ALDH1A1KMT2AGBA1MAPK1NPC1
SCHEMBL1442707 0.85 GBA1 (0.47) ALDH1A1GBA1NAMPTTP53MAPT
SCHEMBL10181052 0.85 CHRNA7 (0.52) —

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
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-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

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 3857/4885KMT2A 765/4885GBA1 3515/4885

“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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