SCHEMBL3829573

SCHEMBL3829573

CNc1cc(-c2cncnc2Nc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)ncn1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.68
TEK Q02763 3/20 0.68
BRAF P15056 12/20 0.61
MAPK14 Q16539 3/20 0.59
LCK P06239 2/20 0.59
KIT P10721 2/20 0.56
ABL1 P00519 2/20 0.56
SRC P12931 2/20 0.56
CSF1R P07333 2/20 0.56
POLB P06746 1/20 0.53
DDR1 Q08345 1/20 0.52
DDR2 Q16832 1/20 0.52

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
SCHEMBL3824997 0.93 KDR (0.67) KDRTEKBRAFMAPK14LCK
SCHEMBL3824874 0.91 KDR (0.65) KDRTEKBRAFMAPK14LCK
SCHEMBL3824167 0.91 KDR (0.65) KDRTEKBRAFMAPK14LCK
SCHEMBL13898067 0.90 KDR (0.68) KDRTEKBRAFMAPK14LCK
SCHEMBL3826288 0.90 KDR (0.68) KDRTEKBRAFMAPK14LCK
SCHEMBL3823481 0.90 KDR (0.64) KDRTEKBRAFMAPK14LCK
SCHEMBL3828363 0.89 KDR (0.66) KDRTEKBRAFMAPK14LCK
SCHEMBL3827594 0.88 KDR (0.65) KDRTEKBRAFMAPK14LCK
SCHEMBL3828517 0.87 BRAF (0.65) KDRTEKBRAFMAPK14LCK
SCHEMBL3824106 0.87 KDR (0.60) KDRTEKBRAFMAPK14LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101421262-A Compounds and compositions as protein kinase inhibitors IRM LLC (VG) 2009-04-29 CN claimed
US-20090069327-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-03-12 US claimed
US-20090069327-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-03-12 US disclosed
US-20090069327-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-03-12 US disclosed
US-20090069327-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-03-12 US disclosed
WO-2007092531-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-08-16 WO 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-20090069327-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS SRC, BMX, FYN KDR 95/4885TEK 375/4885BRAF 28/4885

“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.