SCHEMBL3782691

SCHEMBL3782691

CNc1cc(-c2ccccn2)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.52
▸ METAP1 P53582 3/20 0.52
▸ CYP2C9 P11712 3/20 0.52
▸ MAPK1 P28482 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ ACP1 P24666 2/20 0.48
▸ TGFBR1 P36897 1/20 0.48
▸ GPR39 O43194 1/20 0.48

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
SCHEMBL3785925 0.84 HTR3A (0.49) CYP3A4METAP1KDM4EACP1TGFBR1
SCHEMBL8646097 0.81 CYP2C9 (0.52) CYP3A4METAP1CYP2C9MAPK1KDM4E
SCHEMBL12090552 0.80 TGFBR1 (0.70) CYP3A4METAP1CYP2C9KDM4ERXFP1
SCHEMBL15692161 0.79 MAPK1 (0.56) CYP3A4METAP1CYP2C9MAPK1KDM4E
SCHEMBL13243235 0.76 CYP3A4 (0.53) CYP3A4METAP1CYP2C9MAPK1KDM4E
SCHEMBL25416501 0.76 KDM4E (0.61) CYP3A4METAP1CYP2C9MAPK1KDM4E
SCHEMBL10610977 0.76 KDM4E (0.57) CYP3A4METAP1CYP2C9MAPK1KDM4E
SCHEMBL2712210 0.76 ACHE (0.64) CYP3A4METAP1CYP2C9KDM4ERXFP1
SCHEMBL30368831 0.76 ACHE (0.64) CYP3A4METAP1CYP2C9KDM4ERXFP1
SCHEMBL31529370 0.75 SMN1; SMN2 (0.67) CYP3A4METAP1CYP2C9KDM4ERXFP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 — — US disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 — — 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-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 CYP3A4 3011/4885METAP1 4171/4885CYP2C9 3078/4885

“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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