SCHEMBL1443923

SCHEMBL1443923

O=C(c1cccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c1)N1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 15/20 0.67
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ PLK4 O00444 1/20 0.51
▸ JAK2 O60674 1/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ ROS1 P08922 1/20 0.51
▸ FGFR1 P11362 1/20 0.51
▸ FLT1 P17948 1/20 0.51
▸ MARK3 P27448 1/20 0.51
▸ FLT4 P35916 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ FLT3 P36888 1/20 0.51
▸ CLK2 P49760 1/20 0.51
▸ CSNK1G2 P78368 1/20 0.51
▸ MAP4K2 Q12851 1/20 0.51
▸ ROCK1 Q13464 1/20 0.51

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
SCHEMBL10179246 0.99 HPGD (0.65) HPGDKDM4EALDH1A1POLBALOX15
SCHEMBL1442309 0.93 HPGD (0.59) HPGDERN1
SCHEMBL10179394 0.93 HPGD (0.59) HPGDERN1
SCHEMBL1441709 0.91 HPGD (0.70) HPGDKDM4EALDH1A1POLBALOX15
SCHEMBL1442624 0.90 HPGD (0.68) HPGDKDM4EALDH1A1POLBALOX15
SCHEMBL1442481 0.87 HPGD (0.53) HPGDPLK4JAK2MAP4K4ROS1
SCHEMBL12812039 0.87 HPGD (0.67) HPGDKDM4EALDH1A1POLBALOX15
SCHEMBL1442462 0.86 PIK3CA (0.51) HPGDKDM4EALDH1A1HSD17B10CDK6
SCHEMBL12811768 0.85 PRKDC (0.49) HPGDKDM4EALDH1A1MAP4K4CSNK1G2
SCHEMBL1442345 0.85 LRRK2 (0.51) HPGDKDM4EALDH1A1ATRATRIP

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 11 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
WO-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 — — WO 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 2446/4885KDM4E 932/4885ALDH1A1 3857/4885

“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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