SCHEMBL955390

SCHEMBL955390

O=C(O)c1cc(O)n(-c2ccc(F)c(F)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ ATM Q13315 1/20 0.47
▸ RPA1 P27694 8/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ PPP1CA P62136 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ THRB P10828 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
SCHEMBL2319936 0.87 RPA1 (0.54) KMT2AMEN1ATMRPA1SMN1; SMN2
SCHEMBL954786 0.81 KMT2A (0.50) KMT2AMEN1ATMRPA1PPP1CA
SCHEMBL2318841 0.81 RPA1 (0.68) KMT2AMEN1ATMRPA1SMN1; SMN2
SCHEMBL1143854 0.80 RPA1 (0.67) KMT2AMEN1RPA1SMN1; SMN2PPP1CA
SCHEMBL2317895 0.79 KMT2A (0.44) KMT2AMEN1ATMRPA1SMN1; SMN2
SCHEMBL2319966 0.79 PPP1CA (0.68) KMT2AMEN1RPA1SMN1; SMN2PPP1CA
SCHEMBL2320708 0.79 KMT2A (0.50) KMT2AMEN1ATMRPA1SMN1; SMN2
SCHEMBL2317269 0.78 ALDH1A1 (0.48) KMT2AMEN1RPA1L3MBTL1ALDH1A1
SCHEMBL16876800 0.77 MEN1 (0.60) KMT2AMEN1ATMRPA1SMN1; SMN2
SCHEMBL2320846 0.77 KMT2A (0.46) KMT2AMEN1ATMRPA1SMN1; SMN2

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 2661/4885ATM 2568/4885

“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.

Send feedback