SCHEMBL12812023

SCHEMBL12812023

O=C(c1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.62
▸ ALDH1A1 P00352 2/20 0.57
▸ CDK6 Q00534 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ CSF1R P07333 1/20 0.50
▸ MKNK1 Q9BUB5 2/20 0.49
▸ MKNK2 Q9HBH9 2/20 0.49
▸ JAK2 O60674 1/20 0.48
▸ MTOR P42345 4/20 0.48
▸ PIK3CD O00329 1/20 0.48
▸ PIK3CA P42336 1/20 0.48
▸ PIK3CB P42338 1/20 0.48
▸ PIK3CG P48736 1/20 0.48
▸ PRKDC P78527 1/20 0.48
▸ PIK3C3 Q8NEB9 1/20 0.48
▸ HDAC4 P56524 1/20 0.47
▸ SMN1; SMN2 Q16637 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
SCHEMBL1442624 0.96 HPGD (0.68) HPGDALDH1A1CDK6KDM4EPOLB
SCHEMBL12812039 0.95 HPGD (0.67) HPGDALDH1A1CDK6KDM4EPOLB
SCHEMBL1441709 0.95 HPGD (0.70) HPGDALDH1A1CDK6KDM4EPOLB
SCHEMBL1442106 0.88 CDK6 (0.53) HPGDALDH1A1CDK6KDM4EMKNK1
SCHEMBL12812391 0.87 HPGD (0.53) HPGDALDH1A1CDK6HSD17B10MTOR
SCHEMBL1444098 0.87 HPGD (0.53) HPGDCDK6HSD17B10CSF1RJAK2
SCHEMBL10179246 0.86 HPGD (0.65) HPGDALDH1A1CDK6KDM4EPOLB
SCHEMBL1444076 0.86 HPGD (0.59) HPGD
SCHEMBL10179643 0.86 HPGD (0.59) HPGD
SCHEMBL1443923 0.85 HPGD (0.67) HPGDALDH1A1CDK6KDM4EPOLB

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 9 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
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 HPGD 2446/4885ALDH1A1 3857/4885CDK6 136/4885

“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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