SCHEMBL12852020

SCHEMBL12852020

Cc1ccc(C(=O)O)cc1C#Cc1cnc(C(N)=O)n1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 0.51
JAK2 O60674 1/20 0.41
EGFR P00533 1/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
BRAF P15056 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT1 P17948 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
JAK1 P23458 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
EPHA2 P29317 1/20 0.41
EPHA3 P29320 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 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
SCHEMBL24538369 0.86 ABL1 (0.54) ABL1JAK2EGFRRETPDGFRB
SCHEMBL24538368 0.82 ABL1 (0.53) ABL1JAK2EGFRRETPDGFRB
SCHEMBL4103699 0.76 ABL1 (0.49) ABL1FGFR3CSF1RROR1KIT
SCHEMBL24538489 0.74 ABL1 (0.53) ABL1JAK2EGFRRETPDGFRB
SCHEMBL29652093 0.74 ABL1 (0.53) ABL1JAK2EGFRRETPDGFRB
SCHEMBL588526 0.74 ABL1 (0.54) ABL1CSF1RROR1KITDDR1
SCHEMBL29506341 0.73 CSF1R (0.67) ABL1CSF1RROR1
SCHEMBL589881 0.73 CSF1R (0.67) ABL1CSF1RROR1
SCHEMBL589592 0.73 ABL1 (0.53) ABL1EPHA2TEKEPHA7CSF1R
SCHEMBL22529514 0.73 LCK (0.57) ABL1KDRTEKCSF1RKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369446-A1 MONOCYCLIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2017-12-28 US disclosed
US-20130005738-A1 Monocyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-03 US disclosed
US-20130005738-A1 Monocyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-03 US disclosed
US-8278307-B2 Monocyclic Heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-20090149471-A1 Monocyclic Heterocyclic Compounds ARIAD PHARMACEUTICALS, INC. 2009-06-11 US disclosed
US-20090149471-A1 Monocyclic Heterocyclic Compounds ARIAD PHARMACEUTICALS, INC. 2009-06-11 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 (3 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-20090149471-A1 Monocyclic Heterocyclic Compounds CYP11B2, CYP3A5, CYP1A2 ABL1 357/4885JAK2 1463/4885EGFR 1955/4885
US-20130005738-A1 Monocyclic Heteroaryl Compounds CYP3A43, CYP2F1, CYP11B2 ABL1 71/4885JAK2 1830/4885EGFR 1472/4885
US-20170369446-A1 MONOCYCLIC HETEROARYL COMPOUNDS CYP3A43, CYP2F1, CYP11B2 ABL1 71/4885JAK2 1830/4885EGFR 1472/4885

“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.