SCHEMBL1442321

SCHEMBL1442321

O=C(Cc1cccnc1)Nc1ccc(-c2ccc3ncc(N4CCN(c5cnccn5)CC4)nc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 1/20 0.49
▸ WNT3A P56704 5/20 0.47
▸ HTR1A P08908 2/20 0.47
▸ DRD2 P14416 2/20 0.47
▸ PORCN Q9H237 1/20 0.46
▸ PDE3B Q13370 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ WNT1 P04628 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ RORC P51449 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ SLC6A7 Q99884 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL1442679 0.94 WNT3A (0.47) KARS1WNT3AHTR1ADRD2PORCN
SCHEMBL1442619 0.90 HTR1A (0.53) KARS1WNT3AHTR1ADRD2PORCN
SCHEMBL1443280 0.90 DRD2 (0.51) KARS1WNT3AHTR1ADRD2PORCN
SCHEMBL27882007 0.89 WNT3A (0.47) WNT3APORCNLMNATP53MAPT
SCHEMBL1442275 0.89 KDM4E (0.52) WNT3APORCNLMNATP53MAPT
SCHEMBL1442809 0.88 MAPT (0.52) WNT3ALMNATP53MAPT
SCHEMBL10179752 0.87 WNT3A (0.44) KARS1WNT3APORCNLMNATP53
SCHEMBL1442810 0.87 HTR1A (0.51) WNT3AHTR1ADRD2PORCNMAPT
SCHEMBL1442793 0.87 MAPT (0.48) LMNATP53MAPTSLC6A7
SCHEMBL1443877 0.87 DRD2 (0.46) WNT3AHTR1ADRD2LMNATP53

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
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-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 KARS1 877/4885WNT3A 3920/4885HTR1A 2805/4885

“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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