SCHEMBL4062149

SCHEMBL4062149

Cc1ccc(C(=O)O)cc1C#Cc1cncnc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.46
ABL1 P00519 2/20 0.45
KIT P10721 5/20 0.44
DDR1 Q08345 5/20 0.44
GRM5 P41594 3/20 0.44
LCK P06239 1/20 0.43
KDR P35968 1/20 0.43
TEK Q02763 1/20 0.43
ABL2 P42684 1/20 0.43
AR P10275 1/20 0.43
TSHR P16473 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
VNN1 O95497 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
SCHEMBL22529514 0.86 LCK (0.57) CSF1RABL1KITDDR1LCK
SCHEMBL4063968 0.85 CSF1R (0.62) CSF1RABL1KITDDR1GRM5
SCHEMBL24528502 0.85 CSF1R (0.51) CSF1RABL1KITDDR1LCK
SCHEMBL23501801 0.83 POLB (0.46) CSF1RABL1KITDDR1GRM5
SCHEMBL29934281 0.83 POLB (0.46) CSF1RABL1KITDDR1GRM5
SCHEMBL14616920 0.81 HAO1 (0.50) CSF1RKITDDR1TSHR
SCHEMBL11298523 0.78 ABL1 (0.64) ABL1KITDDR1LCKKDR
SCHEMBL15363697 0.78 KIT (0.44) ABL1KITDDR1LCKKDR
SCHEMBL29722360 0.78 ABL1 (0.64) ABL1KITDDR1LCKKDR
SCHEMBL4067236 0.77 ABL1 (0.52) CSF1RABL1KITDDR1LCK

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
US-9090561-B2 Acetylenic heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-8461167-B2 Acetylenic heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20130018046-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-17 US disclosed
US-20090176781-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2009-07-09 US disclosed
EP-2023933-A2 ACETYLENIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2009-02-18 EP disclosed
WO-2007133560-A9 ACETYLENIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2008-11-13 WO disclosed
WO-2007133560-A2 ACETYLENIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2007-11-22 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-20090176781-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA CSF1R 3269/4885ABL1 1035/4885KIT 3086/4885
US-20130018046-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA CSF1R 3269/4885ABL1 1035/4885KIT 3086/4885

“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.