SCHEMBL13220176

SCHEMBL13220176

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cnc2[nH]cnc2c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.62
KDR P35968 8/20 0.62
LCK P06239 7/20 0.62
TEK Q02763 4/20 0.62
JAK3 P52333 4/20 0.62
DDR2 Q16832 5/20 0.61
BRAF P15056 5/20 0.61
POLB P06746 1/20 0.56
KIT P10721 6/20 0.55
ABL1 P00519 1/20 0.55
BCR P11274 1/20 0.55
DDR1 Q08345 1/20 0.55
RAF1 P04049 4/20 0.55
SRC P12931 2/20 0.54

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
SCHEMBL13220047 0.83 KDR (0.69) MAPK14KDRLCKTEKJAK3
SCHEMBL13219723 0.82 LCK (0.76) MAPK14KDRLCKTEKJAK3
SCHEMBL3586277 0.82 TEK (0.77) MAPK14KDRLCKTEKDDR2
SCHEMBL13220068 0.82 KDR (0.74) MAPK14KDRLCKTEKJAK3
SCHEMBL1705565 0.80 LCK (0.65) MAPK14KDRLCKTEKJAK3
SCHEMBL13220177 0.80 KDR (0.70) MAPK14KDRLCKTEKJAK3
SCHEMBL19328015 0.78 CSF1R (0.63) MAPK14KDRLCKTEKJAK3
SCHEMBL4017741 0.78 LCK (0.66) MAPK14KDRLCKTEKJAK3
SCHEMBL5493948 0.78 LCK (0.78) MAPK14KDRLCKTEKJAK3
SCHEMBL19327934 0.78 KDR (0.61) MAPK14KDRLCKTEKJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 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-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE IRAK3, IRAK1, MAP3K1 MAPK14 613/4885KDR 666/4885LCK 108/4885

“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.