SCHEMBL682017

SCHEMBL682017

Cc1cc2[nH]c(=O)n(-c3ccc(NC(=O)OC(C)(C)C)cc3)c(=O)c2cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
TP53 P04637 2/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
P2RY12 Q9H244 1/20 0.40
MAPT P10636 2/20 0.40
PSMB8 P28062 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
ERCC1 P07992 2/20 0.37
FEN1 P39748 2/20 0.37
ERCC4 Q92889 2/20 0.37

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
SCHEMBL8737599 0.92 P2RY12 (0.46) KDM4EALDH1A1HPGDTP53LMNA
SCHEMBL681267 0.88 P2RY12 (0.47) KDM4EALDH1A1HPGDTP53LMNA
SCHEMBL13362572 0.85 FEN1 (0.45) KDM4EALDH1A1HPGDTP53LMNA
SCHEMBL13635263 0.83 ERCC1 (0.46) KDM4EALDH1A1HPGDTP53LMNA
SCHEMBL27637025 0.81 CA12 (0.46) KDM4EALDH1A1HPGDTP53LMNA
SCHEMBL26756816 0.77 KDM4E (0.47) KDM4ETP53CA12CA1CA9
SCHEMBL14417204 0.76 ALDH1A1 (0.70) KDM4EALDH1A1HPGDTP53LMNA
SCHEMBL27657927 0.76 ERCC1 (0.41) KDM4EALDH1A1HPGDTP53LMNA
SCHEMBL26756902 0.73 MAPT (0.43) KDM4EALDH1A1KMT2ACA12CA1
SCHEMBL31090327 0.72 PSMB8 (0.43) ALDH1A1CA12CA1CA9GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088736-A1 [4-(6-HALO-7-Substituted-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREAS and Forms and Methods Related Thereto PORTOLA PHARMACEUTICALS, INC. (US) 2012-04-12 US disclosed
US-20120009172-A1 INTRAVENOUS AND ORAL DOSING OF A DIRECT-ACTING AND REVERSIBLE P2Y12 INHIBITOR PORTOLA PHARMACEUTICALS, INC. (US) 2012-01-12 US disclosed
US-8058284-B2 [4-(6-halo-7-substituted-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-yl)-phenyl]-5-chloro-thiophen-2-yl-sulfonylureas and forms and methods related thereto PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
US-20090048216-A1 INTRAVENOUS AND ORAL DOSING OF A DIRECT-ACTING AND REVERSIBLE P2Y12 INHIBITOR PORTOLA PHARMACEUTICALS, INC. (US) 2009-02-19 US disclosed
US-20070208045-A1 SUBSTITUTED-(QUINAZOLINYL)PHENYL THIOPHENYL-SULFONYLUREAS, METHODS FOR MAKING AND INTERMEDIATES THEREOF PORTOLA PHARMACEUTICALS, INC. (US) 2007-09-06 US disclosed
US-20070123547-A1 [4-(6-HALO-7-SUBSTITUTED-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREAS AND FORMS AND METHODS RELATED THERETO PORTOLA PHARMACEUTICALS, INC. (US) 2007-05-31 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 (5 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-20090048216-A1 INTRAVENOUS AND ORAL DOSING OF A DIRECT-ACTING AND REVERSIBLE P2Y12 INHIBITOR P2RY12, P2RY11, P2RY13 KDM4E 4459/4885ALDH1A1 1886/4885HPGD 190/4885
US-20120009172-A1 INTRAVENOUS AND ORAL DOSING OF A DIRECT-ACTING AND REVERSIBLE P2Y12 INHIBITOR P2RY12, P2RY11, P2RY13 KDM4E 4459/4885ALDH1A1 1886/4885HPGD 190/4885
US-20070208045-A1 SUBSTITUTED-(QUINAZOLINYL)PHENYL THIOPHENYL-SULFONYLUREAS, METHODS FOR MAKING AND INTERMEDIATES THEREOF P2RY4, P2RY6, P2RY13 KDM4E 1862/4885ALDH1A1 925/4885HPGD 1160/4885
US-20120088736-A1 [4-(6-HALO-7-Substituted-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREAS and Forms and Methods Related Thereto P2RX7, P2RY1, P2RY6 KDM4E 3098/4885ALDH1A1 1579/4885HPGD 2581/4885
US-20070123547-A1 [4-(6-HALO-7-SUBSTITUTED-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREAS AND FORMS AND METHODS RELATED THERETO P2RX7, P2RY1, P2RY6 KDM4E 3098/4885ALDH1A1 1579/4885HPGD 2581/4885

“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.