SCHEMBL3704483

SCHEMBL3704483

COc1ccc(F)c(NC(=O)Nc2cccc3c2ccn3Cc2ccnc3[nH]ccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 6/20 0.41
ROCK1 Q13464 3/20 0.40
BRAF P15056 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CIT O14578 1/20 0.38
RAB9A P51151 1/20 0.38
FLT1 P17948 2/20 0.37
TEK Q02763 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
ROCK2 O75116 1/20 0.37
MET P08581 1/20 0.37
PLK4 O00444 1/20 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
SCHEMBL15052787 0.92 BRAF (0.39) PTGER3ROCK1BRAFCYP2D6CYP2C9
SCHEMBL3700898 0.91 MEN1 (0.48) ROCK1BRAFCYP2D6CYP2C9ALDH1A1
SCHEMBL3697706 0.89 KDR (0.44) BRAFSMN1; SMN2RAB9AFLT1MET
SCHEMBL3707113 0.89 FGFR1 (0.46) PTGER3ROCK1CYP2C9ALDH1A1SMN1; SMN2
SCHEMBL3705782 0.89 CYP2D6 (0.51) PTGER3BRAFCYP2D6CYP2C9ALDH1A1
SCHEMBL3702438 0.88 SMN1; SMN2 (0.45) PTGER3BRAFCYP2D6CYP2C9ALDH1A1
SCHEMBL3699583 0.88 JAK2 (0.40) PTGER3BRAFGSK3AGSK3BMEN1
Hydrochloric Acid SCHEMBL3697319 0.88 FGFR1 (0.46) PTGER3ROCK1CYP2C9ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL3700562 0.88 CYP2D6 (0.51) PTGER3BRAFCYP2D6CYP2C9ALDH1A1
Hydrochloric Acid SCHEMBL28814343 0.88 MAPT (0.44) PTGER3BRAFCYP2D6CYP2C9ALDH1A1

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 PTGER3 2307/4885ROCK1 565/4885BRAF 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.