SCHEMBL13220177

SCHEMBL13220177

CNC(=O)c1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)cn1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.70
LCK P06239 8/20 0.70
TEK Q02763 4/20 0.70
MAPK14 Q16539 10/20 0.66
JAK3 P52333 4/20 0.66
BRAF P15056 4/20 0.66
DDR2 Q16832 5/20 0.64
KIT P10721 7/20 0.58
ABL1 P00519 1/20 0.58
BCR P11274 1/20 0.58
DDR1 Q08345 1/20 0.58
RAF1 P04049 3/20 0.57
SRC P12931 2/20 0.56
CSF1R P07333 2/20 0.56
FGFR1 P11362 1/20 0.55

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
SCHEMBL13220068 0.86 KDR (0.74) KDRLCKTEKMAPK14JAK3
SCHEMBL13219723 0.85 LCK (0.76) KDRLCKTEKMAPK14JAK3
SCHEMBL3574810 0.82 LCK (1.00) KDRLCKTEKMAPK14DDR2
SCHEMBL5494114 0.82 LCK (0.70) KDRLCKTEKMAPK14JAK3
SCHEMBL13220047 0.82 KDR (0.69) KDRLCKTEKMAPK14JAK3
SCHEMBL4435452 0.81 MAPK14 (0.68) KDRLCKTEKMAPK14JAK3
SCHEMBL3932220 0.81 DDR2 (0.73) KDRLCKTEKMAPK14JAK3
SCHEMBL13220176 0.80 MAPK14 (0.62) KDRLCKTEKMAPK14JAK3
SCHEMBL5501133 0.80 LCK (1.00) KDRLCKTEKMAPK14JAK3
SCHEMBL5493948 0.80 LCK (0.78) KDRLCKTEKMAPK14JAK3

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 KDR 666/4885LCK 108/4885TEK 608/4885

“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.