SCHEMBL3703394

SCHEMBL3703394

Cc1ccc(C(F)(F)F)c(NC(=O)Nc2cccc3c2ccn3Cc2c[nH]c3ncccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
P2RY1 P47900 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CDK2 P24941 3/20 0.37
CDK1 P06493 3/20 0.37
HIPK2 Q9H2X6 2/20 0.37
PRKD3 O94806 2/20 0.37
FLT4 P35916 2/20 0.37
CSNK2A1 P68400 2/20 0.37
CDK5 Q00535 2/20 0.37
STK3 Q13188 2/20 0.37

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
SCHEMBL15053599 0.92 BRAF (0.37) BRAFP2RY1TRPV1MAPTKDM4E
SCHEMBL3706376 0.91 KDM4E (0.47) BRAFHTR2AHTR7HTR6TRPV1
SCHEMBL3699402 0.90 BRAF (0.44) BRAFHTR2AHTR7FLT1KDR
Hydrochloric Acid SCHEMBL3705646 0.90 KDM4E (0.46) BRAFHTR2AHTR7HTR6TRPV1
SCHEMBL27807404 0.89 PDPK1 (0.38) BRAFHTR2AHTR7HTR6TRPV1
SCHEMBL3705641 0.89 KLKB1 (0.40) BRAFTRPV1FLT1KDRCDK2
SCHEMBL3709520 0.88 PTGER3 (0.40) BRAFHTR2AHTR7HTR6KDM4E
SCHEMBL3696979 0.88 MTNR1A (0.38) BRAFFLT1KDRMAPTKDM4E
SCHEMBL3698624 0.87 PKM (0.47) HTR2AHTR7HTR6MAPTKDM4E
SCHEMBL3712109 0.86 PTGER3 (0.47) BRAFTRPV1FLT1KDRMAPT

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 BRAF 114/4885HTR2A 1776/4885HTR7 1326/4885

“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.