SCHEMBL12812503

SCHEMBL12812503

CN1CCCN(c2cnc3ccc(-c4ccc(NC(=O)Cc5ccccc5)cc4)cc3n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ SLC2A1 P11166 1/20 0.50
▸ WNT3A P56704 4/20 0.49
▸ MAPT P10636 5/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ NR4A1 P22736 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ PIM2 Q9P1W9 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ HRH4 Q9H3N8 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MCHR1 Q99705 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ EGLN1 Q9GZT9 1/20 0.45

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
SCHEMBL1443409 0.92 MAPT (0.56) NPC1RAB9ASLC2A1WNT3AMAPT
SCHEMBL1442689 0.91 SMN1; SMN2 (0.56) NPC1RAB9ASLC2A1WNT3AMAPT
SCHEMBL1442537 0.89 HTR1A (0.55) NPC1RAB9ASLC2A1WNT3AMAPT
SCHEMBL1442819 0.89 NPC1 (0.53) NPC1RAB9ASLC2A1WNT3AMAPT
SCHEMBL12812502 0.89 MCHR1 (0.50) NPC1RAB9ASLC2A1WNT3AMAPT
SCHEMBL12811812 0.88 MEN1 (0.60) NPC1RAB9ASLC2A1WNT3AMAPT
SCHEMBL1443467 0.88 KMT2A (0.54) NPC1RAB9ASLC2A1WNT3AMAPT
SCHEMBL10179570 0.88 CKS1B (0.48) NPC1RAB9ASLC2A1WNT3ASMN1; SMN2
SCHEMBL27865680 0.87 WNT3A (0.49) NPC1RAB9ASLC2A1WNT3AMAPT
SCHEMBL1442518 0.87 WNT3A (0.48) NPC1RAB9ASLC2A1WNT3AMAPT

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 9 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
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 NPC1 4167/4885RAB9A 1365/4885SLC2A1 2621/4885

“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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