SCHEMBL2965952

SCHEMBL2965952

Cc1nc(N)ncc1C#Cc1ccc(F)c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCC[C@H](N(C)C)C2)c1

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TEK Q02763 16/20 0.84
LCK P06239 13/20 0.84
KDR P35968 12/20 0.84
JAK2 O60674 1/20 0.84
NTRK1 P04629 1/20 0.84
INSR P06213 1/20 0.84
FES P07332 1/20 0.84
LYN P07948 1/20 0.84
FGR P09769 1/20 0.84
KIT P10721 1/20 0.84
JAK1 P23458 1/20 0.84
CSK P41240 1/20 0.84
JAK3 P52333 1/20 0.84
EPHB4 P54760 1/20 0.84
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
ATR Q13535 1/20 0.39
GPR6 P46095 1/20 0.39
WDR5 P61964 1/20 0.38

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
SCHEMBL2965159 0.92 TEK (1.00) TEKLCKKDRJAK2NTRK1
SCHEMBL2973659 0.92 TEK (1.00) TEKLCKKDRJAK2NTRK1
SCHEMBL2976316 0.87 TEK (1.00) TEKLCKKDRJAK2NTRK1
SCHEMBL2965250 0.87 TEK (1.00) TEKLCKKDRJAK2NTRK1
SCHEMBL13220026 0.86 TEK (0.72) TEKLCKKDRJAK2NTRK1
SCHEMBL2967261 0.85 TEK (0.85) TEKLCKKDRJAK2NTRK1
SCHEMBL13219938 0.84 TEK (0.80) TEKLCKKDRJAK2NTRK1
SCHEMBL13220187 0.84 TEK (0.80) TEKLCKKDRJAK2NTRK1
SCHEMBL2965049 0.84 TEK (1.00) TEKLCKKDRJAK2NTRK1
SCHEMBL2965057 0.84 TEK (1.00) TEKLCKKDRJAK2NTRK1

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