SCHEMBL2966352

SCHEMBL2966352

CN1CCC(N(C)c2ccc(C(F)(F)F)cc2NC(=O)c2cc(C#Cc3cnc(N)nc3)ccc2F)CC1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LCK P06239 16/20 0.72
TEK Q02763 15/20 0.72
KDR P35968 12/20 0.72
KIT P10721 2/20 0.66
JAK2 O60674 1/20 0.66
NTRK1 P04629 1/20 0.66
INSR P06213 1/20 0.66
FES P07332 1/20 0.66
LYN P07948 1/20 0.66
FGR P09769 1/20 0.66
JAK1 P23458 1/20 0.66
CSK P41240 1/20 0.66
JAK3 P52333 1/20 0.66
EPHB4 P54760 1/20 0.66
FYN P06241 1/20 0.40
ABL1 P00519 1/20 0.40
DDR1 Q08345 1/20 0.40
DDR2 Q16832 1/20 0.40
RET P07949 1/20 0.40

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
SCHEMBL2960989 0.95 LCK (0.70) LCKTEKKDRKITJAK2
SCHEMBL13202032 0.95 LCK (0.70) LCKTEKKDRKITJAK2
SCHEMBL2965445 0.95 LCK (0.70) LCKTEKKDRKITJAK2
SCHEMBL13220193 0.88 LCK (0.56) LCKTEKKDRKITJAK2
SCHEMBL2965653 0.87 TEK (0.59) LCKTEKKDRKITJAK2
SCHEMBL5260043 0.87 TEK (0.59) LCKTEKKDRKITJAK2
SCHEMBL2967751 0.87 LCK (0.60) LCKTEKKDRKITJAK2
SCHEMBL2974807 0.87 LCK (0.60) LCKTEKKDRKITJAK2
SCHEMBL13202040 0.87 LCK (0.60) LCKTEKKDRKITJAK2
SCHEMBL2961888 0.87 TEK (0.65) LCKTEKKDRKITJAK2

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 14 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-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 (2 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 LCK 108/4885TEK 608/4885KDR 666/4885
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use IRAK3, IRAK1, MAP3K1 LCK 108/4885TEK 608/4885KDR 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.