SCHEMBL4068674

SCHEMBL4068674

Cc1ccc(C(=O)O)cc1C#Cc1ccc(-c2ccccn2)nc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
KDM6B O15054 1/20 0.49
KDM4A O75164 1/20 0.49
KDM5C P41229 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
KDM2A Q9Y2K7 1/20 0.49
KDM3A Q9Y4C1 1/20 0.49
GRM5 P41594 1/20 0.48
KIT P10721 9/20 0.47
DDR1 Q08345 7/20 0.47
P4HA1 P13674 1/20 0.45
P4HTM Q9NXG6 1/20 0.44
LCK P06239 2/20 0.43
KDR P35968 2/20 0.43
TEK Q02763 2/20 0.43
DDR2 Q16832 1/20 0.42
CSF1R P07333 1/20 0.41
SLC16A3 O15427 1/20 0.41
HPGDS O60760 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
SCHEMBL3416733 0.79 KIT (0.53) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL14616920 0.78 HAO1 (0.50) KITDDR1CSF1RSLC16A3
SCHEMBL4063968 0.78 CSF1R (0.62) GRM5KITDDR1CSF1R
SCHEMBL22529514 0.76 LCK (0.57) KITDDR1LCKKDRTEK
SCHEMBL11298523 0.76 ABL1 (0.64) KDM4EKITDDR1LCKKDR
SCHEMBL29722360 0.76 ABL1 (0.64) KDM4EKITDDR1LCKKDR
SCHEMBL4062149 0.76 CSF1R (0.46) GRM5KITDDR1LCKKDR
SCHEMBL4067236 0.75 ABL1 (0.52) KITDDR1LCKKDRTEK
SCHEMBL4245285 0.75 LCK (0.41) KITDDR1LCKKDRTEK
SCHEMBL15363697 0.74 KIT (0.44) KITDDR1LCKKDRTEK

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 KDM4E 3538/4885KDM6B 3557/4885KDM4A 4014/4885
US-20130018046-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA KDM4E 3538/4885KDM6B 3557/4885KDM4A 4014/4885

“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.