SCHEMBL2975413

SCHEMBL2975413

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C#Cc1cnc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 1.00
TEK Q02763 7/20 1.00
KDR P35968 7/20 1.00
KIT P10721 4/20 0.67
DDR1 Q08345 1/20 0.67
DDR2 Q16832 1/20 0.67
ABL1 P00519 3/20 0.62
BRAF P15056 3/20 0.61
BCR P11274 2/20 0.59
CSF1R P07333 1/20 0.57
SRC P12931 3/20 0.55
MAPK14 Q16539 3/20 0.55
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
APEX1 P27695 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
SCHEMBL14953284 0.87 LCK (0.77) LCKTEKKDRKITDDR1
SCHEMBL29515236 0.87 LCK (0.77) LCKTEKKDRKITDDR1
SCHEMBL5261422 0.86 KDR (1.00) LCKTEKKDRKITDDR1
SCHEMBL24626403 0.85 LCK (0.83) LCKTEKKDRKITDDR1
SCHEMBL2969534 0.85 LCK (1.00) LCKTEKKDRKITDDR1
SCHEMBL17325058 0.84 LCK (0.73) LCKTEKKDRKITDDR1
SCHEMBL15363643 0.84 TEK (0.73) LCKTEKKDRKITDDR1
SCHEMBL3586277 0.84 TEK (0.77) LCKTEKKDRKITDDR1
SCHEMBL2974278 0.84 LCK (1.00) LCKTEKKDRKITDDR1
SCHEMBL3574810 0.82 LCK (1.00) LCKTEKKDRKITDDR1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1802586-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2007-07-04 EP disclosed
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. 2006-09-28 US disclosed
WO-2006044823-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2006-04-27 WO 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.