SCHEMBL3705672

SCHEMBL3705672

O=C(Nc1cccc(OC(F)(F)F)c1)Nc1cccc2c1CCN2Cc1c[nH]c2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 18/20 0.45
NTRK1 P04629 1/20 0.43
BRAF P15056 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
SCHEMBL15052956 0.93 P2RY1 (0.44) P2RY1NTRK1
SCHEMBL3707085 0.93 NTRK1 (0.51) P2RY1NTRK1
SCHEMBL3707598 0.90 BRAF (0.43) P2RY1BRAF
SCHEMBL3696454 0.90 HTR2A (0.44) P2RY1NTRK1
SCHEMBL3705109 0.90 FGFR1 (0.46) BRAF
SCHEMBL3694052 0.89 KDR (0.48) P2RY1BRAF
SCHEMBL3709379 0.88 HTR1A (0.43) P2RY1BRAF
SCHEMBL3703082 0.87 DRD4 (0.45)
SCHEMBL3701249 0.86 STING1 (0.46)
SCHEMBL3713909 0.86 KMT2A (0.43) P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US claimed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 US claimed
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 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-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS FLT3, CSF1R, EPHA2 P2RY1 441/4885NTRK1 817/4885BRAF 114/4885

“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.