SCHEMBL2966570

SCHEMBL2966570

Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc(N)nc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.72
BCR P11274 9/20 0.72
LCK P06239 2/20 0.69
TEK Q02763 2/20 0.69
KDR P35968 1/20 0.69
KIT P10721 5/20 0.66
DDR1 Q08345 2/20 0.64
DDR2 Q16832 2/20 0.64
MAP3K7 O43318 2/20 0.59
MAP4K2 Q12851 2/20 0.59
CSF1R P07333 1/20 0.58
LYN P07948 1/20 0.58

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
SCHEMBL29675215 0.91 ABL1 (0.65) ABL1BCRLCKTEKKDR
SCHEMBL24626405 0.91 ABL1 (0.65) ABL1BCRLCKTEKKDR
SCHEMBL29675256 0.89 ABL1 (0.62) ABL1BCRLCKTEKKDR
SCHEMBL2964537 0.88 LCK (0.68) ABL1BCRLCKTEKKDR
SCHEMBL2966750 0.87 LCK (0.85) ABL1BCRLCKTEKKDR
SCHEMBL2969932 0.86 DDR1 (0.84) ABL1BCRLCKTEKKDR
SCHEMBL2970121 0.85 LCK (0.67) ABL1BCRLCKTEKKDR
SCHEMBL2960414 0.85 ABL1 (0.70) ABL1BCRLCKTEKKDR
SCHEMBL2969110 0.85 DDR1 (0.72) ABL1BCRLCKTEKKDR
SCHEMBL13219872 0.85 CSF1R (0.61) ABL1BCRLCKTEKKDR

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 9 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-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 ABL1 53/4885BCR 498/4885LCK 108/4885
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use IRAK3, IRAK1, MAP3K1 ABL1 53/4885BCR 498/4885LCK 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.