SCHEMBL3713729

SCHEMBL3713729

O=C(Nc1ccccc1OC(F)(F)F)Nc1cccc2c1ccn2Cc1ccnc2[nH]ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CIT O14578 1/20 0.39
KDR P35968 3/20 0.38
BRAF P15056 1/20 0.38
MAPK14 Q16539 1/20 0.38
TNNI3K Q59H18 1/20 0.38
TRPV1 Q8NER1 5/20 0.37
NAMPT P43490 1/20 0.37
TTK P33981 1/20 0.37
NTRK1 P04629 2/20 0.36
AKT2 P31751 1/20 0.35
JAK2 O60674 2/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
EGFR P00533 1/20 0.35
FGFR1 P11362 1/20 0.35
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
ATR Q13535 1/20 0.35

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
Hydrochloric Acid SCHEMBL3695842 0.99 CIT (0.38) CITKDRBRAFMAPK14TNNI3K
SCHEMBL15053065 0.92 CIT (0.38) CITKDRBRAFMAPK14TNNI3K
SCHEMBL3702895 0.89 MAPT (0.46) CIT
SCHEMBL3696934 0.89 BRAF (0.44) CITKDRBRAFMAPK14TNNI3K
SCHEMBL3707202 0.88 KDR (0.46) KDRBRAFMAPK14TNNI3KTRPV1
SCHEMBL3699351 0.88 NTRK1 (0.41) KDRTRPV1NAMPTNTRK1EGFR
Hydrochloric Acid SCHEMBL3708512 0.88 MAPT (0.45) CIT
Hydrochloric Acid SCHEMBL3701896 0.88 KDR (0.45) KDRBRAFMAPK14TNNI3KTRPV1
Hydrochloric Acid SCHEMBL3697629 0.87 NTRK1 (0.41) KDRTRPV1NAMPTNTRK1EGFR
SCHEMBL3696951 0.87 TRPV1 (0.46) TRPV1JAK2JAK1TYK2KLKB1

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 CIT 177/4885KDR 9/4885BRAF 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.