SCHEMBL13276381

SCHEMBL13276381

O=C(Nc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1)c1ccsc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ SLC2A1 P11166 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2C18 P33260 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ ITK Q08881 1/20 0.39
▸ MAPK13 O15264 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL10179747 0.90 MAPT (0.52) MAPTCYP3A4ABCB1SLC2A1CYP1A2
SCHEMBL10179001 0.87 RAF1 (0.45) MAPTCYP3A4ABCB1SLC2A1CYP1A2
SCHEMBL1442855 0.87 MAPT (0.49) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL1441766 0.86 NPC1 (0.48) MAPTSLC2A1NPC1RAB9ASMN1; SMN2
SCHEMBL1442905 0.86 HDAC3 (0.48) MAPTSLC2A1HDAC3HDAC1HDAC2
SCHEMBL12812459 0.86 MAPT (0.46) MAPTSLC2A1SMN1; SMN2HDAC3HDAC1
SCHEMBL10179812 0.85 RAB9A (0.43) NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL1442404 0.85 SMN1; SMN2 (0.53) MAPTCYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL10180955 0.85 MAPT (0.50) MAPTSLC2A1SMN1; SMN2
SCHEMBL10181232 0.84 MAPT (0.44) MAPTCYP3A4ABCB1SLC2A1CYP1A2

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 6 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-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

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 MAPT 1296/4885CYP3A4 1813/4885ABCB1 1227/4885

“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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