SCHEMBL2967745

SCHEMBL2967745

CN(C)CCCN(C)c1ccc(C2CC2)cc1NC(=O)c1cc(C#Cc2cnc(N)nc2)ccc1F

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 16/20 0.75
KDR P35968 14/20 0.75
LCK P06239 12/20 0.75
NTRK1 P04629 2/20 0.48
INSR P06213 2/20 0.48
FES P07332 2/20 0.48
LYN P07948 2/20 0.48
FGR P09769 2/20 0.48
CSK P41240 2/20 0.48
JAK3 P52333 2/20 0.48
EPHB4 P54760 2/20 0.48
JAK2 O60674 1/20 0.48
KIT P10721 1/20 0.48
JAK1 P23458 1/20 0.48
BTK Q06187 5/20 0.41
AURKA O14965 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41

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
SCHEMBL13219870 0.88 TEK (0.58) TEKKDRLCKNTRK1INSR
SCHEMBL2970018 0.86 TEK (1.00) TEKKDRLCKNTRK1INSR
SCHEMBL5498273 0.83 TEK (0.53) TEKKDRLCKNTRK1INSR
SCHEMBL13202408 0.81 TEK (0.56) TEKKDRLCKNTRK1INSR
SCHEMBL2974203 0.79 TEK (0.80) TEKKDRLCKNTRK1INSR
SCHEMBL2960721 0.76 TEK (0.76) TEKKDRLCKNTRK1INSR
SCHEMBL13219949 0.73 TEK (0.78) TEKKDRLCKNTRK1INSR
SCHEMBL5501658 0.73 LCK (0.59) TEKKDRLCKNTRK1INSR
SCHEMBL2961480 0.72 TEK (0.75) TEKKDRLCKNTRK1INSR
SCHEMBL14875029 0.72 TEK (0.71) TEKKDRLCKNTRK1INSR

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 7 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
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. 2006-09-28 US 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-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 (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 608/4885KDR 666/4885LCK 108/4885
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use IRAK3, IRAK1, MAP3K1 TEK 608/4885KDR 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.