SCHEMBL8736866

SCHEMBL8736866

COC(=O)Cc1cc(F)c(F)cc1N=C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.37
EGFR P00533 2/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ALDH1A1 P00352 5/20 0.34
HPGD P15428 3/20 0.34
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RORC P51449 1/20 0.34
PDK2 Q15119 1/20 0.33
KDM4E B2RXH2 4/20 0.33
GAA P10253 3/20 0.33
GLA P06280 2/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
MTNR1A P48039 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
SCHEMBL5084281 0.77 HSP90AB1 (0.46) HSP90AB1EGFRCYP4F2CYP4A11ALDH1A1
SCHEMBL30633059 0.77 HSP90AB1 (0.46) HSP90AB1EGFRCYP4F2CYP4A11ALDH1A1
SCHEMBL27399225 0.75 KDM4E (0.42) HSP90AB1EGFRCYP4F2CYP4A11ALDH1A1
SCHEMBL682129 0.73 ALDH1A1 (0.37) ALDH1A1HPGDCYP3A4TDP1PDK2
SCHEMBL2399645 0.72 MTNR1A (0.49) HSP90AB1ALDH1A1HPGDCYP3A4RORC
SCHEMBL328578 0.72 ALDH1A1 (0.46) HSP90AB1EGFRCYP4F2CYP4A11ALDH1A1
SCHEMBL7881526 0.71 PDGFRB (0.48) HSP90AB1EGFRCYP4F2CYP4A11ALDH1A1
SCHEMBL14421069 0.69 HSP90AB1 (0.39) HSP90AB1EGFRCYP4F2CYP4A11ALDH1A1
SCHEMBL10364340 0.69 MAPT (0.39) ALDH1A1HPGDCYP3A4TDP1KDM4E
SCHEMBL1093301 0.69 SYK (0.42) ALDH1A1HPGDCYP3A4PDK2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129876-A1 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, FORMS AND METHODS RELATED THERETO PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
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
WO-2010054020-A1 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, FORMS AND METHODS RELATED THERETO PORTOLA PHARMACEUTICALS, INC. (US) 2010-05-14 WO disclosed
US-20090156620-A1 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, FORMS AND METHODS RELATED THERETO PORTOLA PHARMACEUTICALS, INC. (US) 2009-06-18 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-20090042916-A1 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, FORMS AND METHODS RELATED THERETO PORTOLA PHARMACEUTICALS, INC. (US) 2009-02-12 US disclosed
WO-2008137753-A2 INTRAVENOUS AND ORAL DOSING OF A DIRECT-ACTING AND REVERSIBLE P2Y12 INHIBITOR PORTOLA PHARMACEUTICALS, INC. (US) 2008-11-13 WO disclosed
WO-2008137809-A2 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL] -5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, IN DIFFERENT CRYSTALLINE FORMS, PHARMACEUTICAL COMPOSITIONS THEREOF PORTOLA PHARMACEUTICALS, INC. (US) 2008-11-13 WO 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 (8 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 HSP90AB1 3367/4885EGFR 3381/4885CYP4F2 2230/4885
US-20090156620-A1 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, FORMS AND METHODS RELATED THERETO P2RY1, P2RY6, P2RY4 HSP90AB1 3201/4885EGFR 2748/4885CYP4F2 758/4885
US-20090042916-A1 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, FORMS AND METHODS RELATED THERETO P2RY1, P2RY6, P2RY4 HSP90AB1 3201/4885EGFR 2748/4885CYP4F2 758/4885
US-20120009172-A1 INTRAVENOUS AND ORAL DOSING OF A DIRECT-ACTING AND REVERSIBLE P2Y12 INHIBITOR P2RY12, P2RY11, P2RY13 HSP90AB1 3367/4885EGFR 3381/4885CYP4F2 2230/4885
US-20070208045-A1 SUBSTITUTED-(QUINAZOLINYL)PHENYL THIOPHENYL-SULFONYLUREAS, METHODS FOR MAKING AND INTERMEDIATES THEREOF P2RY4, P2RY6, P2RY13 HSP90AB1 4244/4885EGFR 1587/4885CYP4F2 224/4885
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 HSP90AB1 2332/4885EGFR 1595/4885CYP4F2 1318/4885
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 HSP90AB1 2332/4885EGFR 1595/4885CYP4F2 1318/4885
US-20120129876-A1 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, FORMS AND METHODS RELATED THERETO P2RY1, P2RY6, P2RY4 HSP90AB1 3201/4885EGFR 2748/4885CYP4F2 758/4885

“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.