SCHEMBL954786

SCHEMBL954786

O=C(O)c1cc(O)n(-c2cccc(F)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
RPA1 P27694 3/20 0.49
PPP1CA P62136 3/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPK14 Q16539 1/20 0.45
NOTUM Q6P988 1/20 0.44
ATM Q13315 1/20 0.44
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
KMO O15229 1/20 0.42
ESR1 P03372 1/20 0.42
CFTR P13569 1/20 0.42

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
SCHEMBL2320708 0.85 KMT2A (0.50) KMT2AMEN1RPA1PPP1CAALDH1A1
SCHEMBL1143854 0.83 RPA1 (0.67) KMT2AMEN1RPA1PPP1CAALDH1A1
SCHEMBL2319966 0.83 PPP1CA (0.68) KMT2AMEN1RPA1PPP1CAALDH1A1
SCHEMBL2322024 0.81 THRB (0.50) KMT2AMEN1RPA1PPP1CAALDH1A1
SCHEMBL955390 0.81 KMT2A (0.50) KMT2AMEN1RPA1PPP1CAALDH1A1
SCHEMBL2317895 0.79 KMT2A (0.44) KMT2AMEN1RPA1PPP1CAALDH1A1
SCHEMBL5478669 0.79 MEN1 (0.62) KMT2AMEN1RPA1PPP1CAATM
SCHEMBL1143841 0.79 RPA1 (0.57) KMT2AMEN1RPA1ALDH1A1NOTUM
SCHEMBL2319936 0.78 RPA1 (0.54) KMT2AMEN1RPA1PPP1CAATM
SCHEMBL2320846 0.77 KMT2A (0.46) KMT2AMEN1RPA1PPP1CAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426420-B2 Heterocyclic pyrazole-carboxamidesas P2Y12 antagonists SANOFI (FR) 2013-04-23 US disclosed
EP-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 EP disclosed
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 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 (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-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 KMT2A 2872/4885MEN1 2661/4885RPA1 1710/4885

“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.