SCHEMBL12851982

SCHEMBL12851982

Cc1ncc(C#Cc2cccc(C(=O)Nc3cccc(-n4ccnc4)c3)c2)s1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.56
DDR1 Q08345 2/20 0.56
ABL1 P00519 2/20 0.50
GAA P10253 1/20 0.50
GRM5 P41594 4/20 0.49
PDGFRB P09619 1/20 0.45
KDR P35968 1/20 0.45
BRAF P15056 1/20 0.44
CD38 P28907 1/20 0.44
DDR2 Q16832 1/20 0.43
IKBKB O14920 1/20 0.43
ROCK2 O75116 1/20 0.43
CSF1R P07333 2/20 0.42
MAPK14 Q16539 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPK13 O15264 1/20 0.41
LCK P06239 1/20 0.41
TEK Q02763 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
SCHEMBL13765855 0.83 KIT (0.56) KITDDR1ABL1GAAGRM5
SCHEMBL10207523 0.79 ABL1 (0.60) KITDDR1ABL1GAAGRM5
SCHEMBL10207522 0.78 ABL1 (0.61) KITDDR1ABL1GAAPDGFRB
SCHEMBL10207521 0.78 ABL1 (0.79) KITDDR1ABL1CSF1R
SCHEMBL10207499 0.77 ABL1 (0.51) KITDDR1ABL1GAAGRM5
SCHEMBL20687013 0.77 ABL1 (0.59) KITDDR1ABL1GAAGRM5
SCHEMBL25136076 0.73 ABL1 (0.65) ABL1BRAFCD38CSF1RLMNA
SCHEMBL30363890 0.73 ABL1 (0.65) ABL1BRAFCD38CSF1RLMNA
SCHEMBL25135525 0.73 ABL1 (0.71) ABL1GAAROCK2MAPK13
SCHEMBL12851843 0.73 KIT (0.59) KITDDR1ABL1KDRDDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 KIT 813/4885DDR1 4773/4885ABL1 357/4885

“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.