SCHEMBL10180439

SCHEMBL10180439

O=C(Nc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1)C1CCCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 11/20 0.47
▸ ALDH1A1 P00352 12/20 0.46
▸ SMN1; SMN2 Q16637 9/20 0.46
▸ KDM4E B2RXH2 8/20 0.46
▸ NPC1 O15118 7/20 0.46
▸ RAB9A P51151 7/20 0.46
▸ PKM P14618 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ NAMPT P43490 1/20 0.46
▸ POLB P06746 3/20 0.45
▸ TP53 P04637 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAP4K4 O95819 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ABL1 P00519 2/20 0.42
▸ WNT1 P04628 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
SCHEMBL13276298 0.90 RXFP1 (0.49) HPGDALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL1442032 0.88 GBA1 (0.48) HPGDALDH1A1KDM4EGLAHSD17B10
SCHEMBL10181264 0.88 GBA1 (0.47) HPGDALDH1A1KDM4EGLATP53
SCHEMBL1442707 0.88 GBA1 (0.47) ALDH1A1KDM4EGLANAMPTTP53
SCHEMBL1443453 0.88 GBA1 (0.46) HPGDALDH1A1KDM4EGLATP53
SCHEMBL1442445 0.87 GBA1 (0.49) ALDH1A1KDM4EGLANAMPTTP53
SCHEMBL10180913 0.84 ALDH1A1 (0.47) HPGDALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL10178945 0.83 KDR (0.43) HPGDALDH1A1KDM4EHTTNAMPT
SCHEMBL10179747 0.81 MAPT (0.52) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL1443356 0.81 NAMPT (0.47) HPGDALDH1A1SMN1; SMN2NPC1RAB9A

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
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
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 HPGD 2446/4885ALDH1A1 3857/4885SMN1; SMN2 2189/4885

“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.

Send feedback