SCHEMBL12812446

SCHEMBL12812446

COC(=O)c1ccccc1-c1ccc2ncc(N3CCCCC3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.49
▸ SLC6A4 P31645 3/20 0.49
▸ SLC6A3 Q01959 3/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ ROCK2 O75116 1/20 0.45
▸ CSF1R P07333 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ FLT3 P36888 1/20 0.45
▸ GSK3A P49840 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ CDK5 Q00535 1/20 0.45
▸ ROCK1 Q13464 1/20 0.45
▸ SLK Q9H2G2 1/20 0.45
▸ IRAK4 Q9NWZ3 1/20 0.45
▸ HCRTR1 O43613 6/20 0.45
▸ HCRTR2 O43614 6/20 0.45
▸ HCAR2 Q8TDS4 3/20 0.45
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43

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
SCHEMBL1442484 0.90 HCRTR1 (0.43) HPGDSLC6A4SLC6A3SLC6A2HCRTR1
SCHEMBL12812422 0.90 PRKDC (0.49) HPGDSLC6A4SLC6A3SLC6A2HCRTR1
SCHEMBL12811798 0.88 ALOX5AP (0.46) HPGDHCRTR1HCRTR2HCAR2ALOX5AP
SCHEMBL1442702 0.85 CNR2 (0.46) HPGDHCRTR1HCRTR2HCAR2MEN1
SCHEMBL12812454 0.82 HPGD (0.53) HPGDKDM4EALDH1A1PIK3CA
SCHEMBL1442139 0.81 ALDH1A1 (0.47) HPGDHCRTR1HCRTR2MEN1KMT2A
SCHEMBL1442648 0.81 CYP1A2 (0.47) SLC6A4SLC6A3HCRTR1HCRTR2MEN1
SCHEMBL1441972 0.81 HRH3 (0.47) HPGDHCAR2MEN1KMT2AALDH1A1
SCHEMBL1442436 0.80 KDM4E (0.48) HPGDKDRMEN1KMT2AKDM4E
SCHEMBL1442797 0.80 HPGD (0.50) HPGDHCAR2MEN1KMT2AKDM4E

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 HPGD 2446/4885SLC6A4 2927/4885SLC6A3 2759/4885

“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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