SCHEMBL1443374

SCHEMBL1443374

O=C(Cc1cccs1)Nc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.42
▸ DRD2 P14416 2/20 0.42
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ MAPT P10636 4/20 0.42
▸ POLB P06746 4/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP4 P49662 1/20 0.42
▸ CASP5 P51878 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ PKM P14618 1/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ EPAS1 Q99814 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
SCHEMBL1443280 0.91 DRD2 (0.51) HTR1ADRD2NPC1RAB9ASMN1; SMN2
SCHEMBL1442810 0.89 HTR1A (0.51) HTR1ADRD2NPC1RAB9ASMN1; SMN2
SCHEMBL10179658 0.88 HTR1A (0.44) HTR1ADRD2NPC1RAB9ASMN1; SMN2
SCHEMBL1442759 0.88 MAPT (0.51) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL10179675 0.88 HTR1A (0.52) HTR1ADRD2NPC1RAB9ASMN1; SMN2
SCHEMBL1441768 0.87 NPC1 (0.46) HTR1ADRD2NPC1RAB9ASMN1; SMN2
SCHEMBL1443399 0.87 NPC1 (0.46) HTR1ADRD2NPC1RAB9ASMN1; SMN2
SCHEMBL10181248 0.86 POLB (0.53) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL12812055 0.86 RORC (0.48) HTR1ADRD2NPC1RAB9ASMN1; SMN2
SCHEMBL1442424 0.86 DRD2 (0.47) HTR1ADRD2NPC1RAB9AHIF1A

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 HTR1A 2805/4885DRD2 3211/4885NPC1 4167/4885

“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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