SCHEMBL3707085

SCHEMBL3707085

O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccc2c1CCN2Cc1c[nH]c2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.51
P2RY1 P47900 18/20 0.49
STING1 Q86WV6 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
SCHEMBL3705672 0.93 P2RY1 (0.45) NTRK1P2RY1
SCHEMBL15053046 0.92 P2RY1 (0.50) NTRK1P2RY1STING1
SCHEMBL3705882 0.90 BRAF (0.49) P2RY1STING1
SCHEMBL3704132 0.90 DRD4 (0.49) NTRK1P2RY1
SCHEMBL3700334 0.89 P2RY1 (0.48) P2RY1STING1
SCHEMBL3696454 0.89 HTR2A (0.44) NTRK1P2RY1
SCHEMBL3699433 0.89 HTR1A (0.47) P2RY1STING1
SCHEMBL3703082 0.88 DRD4 (0.45)
SCHEMBL3708118 0.87 DRD4 (0.47) STING1
SCHEMBL3697641 0.87 BRAF (0.47) P2RY1STING1

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 NTRK1 817/4885P2RY1 441/4885STING1 1679/4885

“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.