SCHEMBL12812408

SCHEMBL12812408

c1cc(N2CCOCC2)ccc1-c1ccc2ncc(N3CCCCC3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.51
▸ CDK6 Q00534 1/20 0.51
▸ HPGD P15428 3/20 0.50
▸ MAPK10 P53779 1/20 0.49
▸ PRKDC P78527 5/20 0.48
▸ PIK3CA P42336 4/20 0.48
▸ PIK3CD O00329 2/20 0.48
▸ PIK3CB P42338 2/20 0.48
▸ MTOR P42345 2/20 0.48
▸ PIK3CG P48736 2/20 0.48
▸ PIK3C3 Q8NEB9 1/20 0.48
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47

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
SCHEMBL12812428 0.95 CDK6 (0.54) PIM1CDK6HPGDMAPK10PRKDC
SCHEMBL3091537 0.89 PIK3CA (0.55) PIM1CDK6HPGDMAPK10PRKDC
SCHEMBL1442062 0.86 HTT (0.57) PIM1CDK6HPGDPRKDCPIK3CA
SCHEMBL1443423 0.86 HTT (0.57) PIM1CDK6HPGDPRKDCPIK3CA
SCHEMBL1442272 0.85 PIK3CA (0.50) PIM1CDK6HPGDPRKDCPIK3CA
SCHEMBL1442616 0.85 PIK3CA (0.50) PIM1CDK6HPGDMAPK10PRKDC
SCHEMBL1441997 0.85 PIK3CA (0.51) PIM1CDK6HPGDMAPK10PRKDC
SCHEMBL1441788 0.85 PIK3CA (0.63) PIM1CDK6HPGDPRKDCPIK3CA
SCHEMBL3088623 0.85 MAPK10 (0.51) PIM1CDK6HPGDMAPK10PRKDC
SCHEMBL1442615 0.85 PIK3CA (0.55) PIM1CDK6PRKDCPIK3CAPIK3CD

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
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-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 PIM1 562/4885CDK6 136/4885HPGD 2446/4885

“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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