SCHEMBL12768217

SCHEMBL12768217

COC(=O)c1ccc(-n2c(=O)[nH]c3cc(F)c(N(C)C(=O)OC(C)(C)C)cc3c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ GAA P10253 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ HPGD P15428 3/20 0.40
▸ TP53 P04637 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ GLA P06280 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HTR3A P46098 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ KIF11 P52732 1/20 0.35
▸ PARP1 P09874 1/20 0.35

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
SCHEMBL12768215 0.91 KDM4E (0.40) ALDH1A1SMN1; SMN2GAANPC1KMT2A
SCHEMBL14525736 0.82 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2GAANPC1KMT2A
SCHEMBL12727493 0.78 GAA (0.53) ALDH1A1SMN1; SMN2GAANPC1KMT2A
SCHEMBL12727377 0.76 P2RY12 (0.54) ALDH1A1SMN1; SMN2GAANPC1KMT2A
SCHEMBL11798445 0.74 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2GAANPC1KMT2A
SCHEMBL4253105 0.73 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2GAANPC1KMT2A
SCHEMBL681267 0.73 P2RY12 (0.47) ALDH1A1SMN1; SMN2GAANPC1KMT2A
SCHEMBL4417113 0.69 KDM4E (0.53) ALDH1A1SMN1; SMN2GAANPC1KMT2A
SCHEMBL2117997 0.69 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2GAANPC1KMT2A
SCHEMBL4254796 0.69 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2GAANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094272-B1 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARM INC (US) 2014-03-26 — — EP disclosed
US-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-04-28 — — US disclosed
US-7834023-B2 Substituted dihydroquinazolines as platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-16 — — US disclosed
US-7834023-B2 Substituted dihydroquinazolines as platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-16 — — US disclosed
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-06-05 — — US disclosed
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-06-05 — — US disclosed
WO-2008036843-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-03-27 — — 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 (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-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors TBXA2R, F2R, PTGER1 ALDH1A1 284/4885SMN1; SMN2 2226/4885GAA 4412/4885
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, PTAFR, PLAT ALDH1A1 1431/4885SMN1; SMN2 3677/4885GAA 2767/4885

“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