SCHEMBL2966366

SCHEMBL2966366

Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2=O)cc1C#Cc1cnc(N)nc1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TEK Q02763 14/20 0.79
LCK P06239 13/20 0.79
KDR P35968 12/20 0.61
ABL1 P00519 3/20 0.54
BCR P11274 2/20 0.54
KIT P10721 4/20 0.52
JAK2 O60674 1/20 0.48
NTRK1 P04629 1/20 0.48
INSR P06213 1/20 0.48
FES P07332 1/20 0.48
LYN P07948 1/20 0.48
FGR P09769 1/20 0.48
JAK1 P23458 1/20 0.48
CSK P41240 1/20 0.48
JAK3 P52333 1/20 0.48
EPHB4 P54760 1/20 0.48
DDR1 Q08345 1/20 0.47
DDR2 Q16832 1/20 0.47

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
SCHEMBL14879285 0.92 LCK (0.67) TEKLCKKDRABL1BCR
SCHEMBL2966772 0.88 TEK (0.61) TEKLCKKDRABL1KIT
SCHEMBL2975625 0.87 TEK (0.75) TEKLCKKDRABL1BCR
SCHEMBL2961845 0.86 TEK (0.86) TEKLCKKDRABL1BCR
SCHEMBL13219901 0.85 LCK (0.57) TEKLCKKDRKITJAK3
SCHEMBL2960414 0.85 ABL1 (0.70) TEKLCKKDRABL1BCR
SCHEMBL2961988 0.85 TEK (0.85) TEKLCKKDRABL1BCR
SCHEMBL2962918 0.82 TEK (0.73) TEKLCKKDRABL1BCR
SCHEMBL2971601 0.82 TEK (0.80) TEKLCKKDRABL1BCR
SCHEMBL2976292 0.82 TEK (0.77) TEKLCKKDRABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802586-B1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2013-04-24 EP claimed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US claimed
EP-1802586-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2007-07-04 EP claimed
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. 2006-09-28 US claimed
WO-2006044823-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2006-04-27 WO claimed
US-20140316132-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2014-10-23 US disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
EP-1802586-B1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2013-04-24 EP disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
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
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. 2006-09-28 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 (3 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 TEK 608/4885LCK 108/4885KDR 666/4885
US-20140316132-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 TEK 302/4885LCK 702/4885KDR 584/4885
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use IRAK3, IRAK1, MAP3K1 TEK 608/4885LCK 108/4885KDR 666/4885

“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.