SCHEMBL12269780

SCHEMBL12269780

C(#Cc1n[nH]c2ncccc12)c1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.60
▸ MTOR P42345 3/20 0.60
▸ PDK1 Q15118 2/20 0.48
▸ PIK3CD O00329 1/20 0.48
▸ PIK3CG P48736 1/20 0.48
▸ MAPT P10636 1/20 0.36
▸ SNCA P37840 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ IKBKE Q14164 1/20 0.34
▸ MAPK13 O15264 1/20 0.34
▸ MAPK12 P53778 1/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.33
▸ AXL P30530 1/20 0.33
▸ FEN1 P39748 1/20 0.33

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
SCHEMBL30055761 0.79 PIK3CA (0.42) PIK3CAMTORMAPTGRM5
SCHEMBL27167206 0.79 PIK3CA (0.42) PIK3CAMTORMAPTGRM5
SCHEMBL12269859 0.78 GRM5 (0.41) PIK3CAMTORGRM5
SCHEMBL12269760 0.78 PIK3CA (0.54) PIK3CAMTORPDK1PIK3CDPIK3CG
SCHEMBL1639226 0.75 LRRK2 (0.50) PIK3CAMTORLRRK2AXLAURKA
SCHEMBL30989250 0.75 LRRK2 (0.50) PIK3CAMTORLRRK2AXLAURKA
SCHEMBL2926259 0.71 PIM1 (0.51) PIK3CAMTORLRRK2PDPK1TGFBR1
Zinc Ion SCHEMBL30758890 0.71 LRRK2 (0.46) PIK3CAMTORLRRK2AXLAURKA
SCHEMBL28608978 0.68 PIK3CA (0.39) PIK3CAMTORPDK1PIK3CDPIK3CG
SCHEMBL12269820 0.68 PIK3CA (0.57) PIK3CAMTORPDK1LRRK2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2011-09-01 — — US disclosed
US-7951832-B2 Pyrazole derivatives as kinase inhibitors BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-05-31 — — US disclosed
US-20090124621-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-05-14 — — 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 (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-20090124621-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BRAF, MAP3K1, MAP3K3 PIK3CA 36/4885MTOR 75/4885PDK1 78/4885
US-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BRAF, MAP3K1, MAP3K3 PIK3CA 36/4885MTOR 75/4885PDK1 78/4885

“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.

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