SCHEMBL1442909

SCHEMBL1442909

O=C(Cc1ccccc1)Nc1ccc(-c2ccc3ncc(N4CCN(CCN5CCOCC5)CC4)nc3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ HTR1A P08908 5/20 0.50
▸ DRD2 P14416 5/20 0.50
▸ WNT3A P56704 3/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ PIK3CD O00329 1/20 0.46
▸ AKT1 P31749 1/20 0.46
▸ PIK3CB P42338 1/20 0.46
▸ MOK Q9UQ07 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL1442104 0.94 SMN1; SMN2 (0.59) EPHX2SMN1; SMN2NPC1RAB9AHTT
SCHEMBL12812502 0.93 MCHR1 (0.50) SMN1; SMN2NPC1RAB9AHTR1ADRD2
SCHEMBL1442581 0.91 HTR1A (0.59) NPC1RAB9AHTR1ADRD2WNT3A
SCHEMBL1442518 0.90 WNT3A (0.48) EPHX2SMN1; SMN2NPC1RAB9AHTR1A
SCHEMBL12812495 0.90 HTR1A (0.52) EPHX2NPC1RAB9AHTR1ADRD2
SCHEMBL12811812 0.89 MEN1 (0.60) SMN1; SMN2NPC1RAB9AHTR1ADRD2
SCHEMBL10180949 0.89 NPC1 (0.57) SMN1; SMN2NPC1RAB9AHTTHTR1A
SCHEMBL1443467 0.89 KMT2A (0.54) SMN1; SMN2NPC1RAB9AHTTHTR1A
SCHEMBL1442383 0.88 WNT3A (0.49) EPHX2NPC1RAB9AHTR1ADRD2
SCHEMBL1442537 0.88 HTR1A (0.55) SMN1; SMN2NPC1RAB9AHTR1ADRD2

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 EPHX2 3175/4885SMN1; SMN2 2189/4885NPC1 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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