SCHEMBL2968044

SCHEMBL2968044

Cc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1C#Cc1cnc(N)nc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.69
TEK Q02763 5/20 0.69
KDR P35968 4/20 0.69
KIT P10721 8/20 0.64
ABL1 P00519 3/20 0.60
BCR P11274 3/20 0.60
DDR1 Q08345 4/20 0.54
CSF1R P07333 4/20 0.52
DDR2 Q16832 1/20 0.52

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
SCHEMBL2969584 0.89 LCK (0.55) LCKTEKKDRKITABL1
SCHEMBL2966750 0.85 LCK (0.85) LCKTEKKDRKITABL1
SCHEMBL2974476 0.84 TEK (0.59) LCKTEKKDRKITABL1
SCHEMBL2969534 0.82 LCK (1.00) LCKTEKKDRKITABL1
SCHEMBL2972543 0.82 LCK (0.65) LCKTEKKDRKITABL1
SCHEMBL2973990 0.81 KIT (0.61) LCKTEKKDRKITABL1
SCHEMBL2970078 0.81 LCK (0.71) LCKTEKKDRKITABL1
SCHEMBL13220015 0.81 ABL1 (0.55) LCKTEKKDRKITABL1
SCHEMBL2976092 0.80 LCK (0.86) LCKTEKKDRKITABL1
SCHEMBL2965785 0.80 LCK (0.58) LCKTEKKDRKITABL1

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 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.