SCHEMBL7140629

SCHEMBL7140629

O=S(=O)(Oc1ccc2cncnc2c1)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.56
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
HSD11B1 P28845 1/20 0.40
IMPDH2 P12268 2/20 0.35
HTR1A P08908 2/20 0.35
HTR1D P28221 2/20 0.35
HTR1B P28222 2/20 0.35
TDO2 P48775 1/20 0.34
ESR2 Q92731 1/20 0.34
NOTUM Q6P988 1/20 0.34
BAZ1A Q9NRL2 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
SCHEMBL29723051 0.88 EGFR (0.56) EGFRCA1CA2HSD11B1HTR1A
SCHEMBL28759605 0.88 EGFR (0.56) EGFRCA1CA2HSD11B1HTR1A
SCHEMBL28245204 0.78 CA1 (0.44) CA1CA2HSD11B1HTR1AHTR1D
SCHEMBL17316099 0.78 HPGDS (0.60) CA1CA2HSD11B1
SCHEMBL17145000 0.78 CA1 (0.51) CA1CA2HSD11B1HTR1AHTR1D
SCHEMBL1543342 0.78 CYP3A4 (0.52) CA1CA2HSD11B1
SCHEMBL30344840 0.78 CYP3A4 (0.52) CA1CA2HSD11B1
SCHEMBL7602494 0.77 PDGFRB (0.48) CA1CA2HSD11B1ESR2
SCHEMBL7287307 0.77 CA1 (0.45) CA1CA2HSD11B1IMPDH2HTR1A
SCHEMBL4056753 0.77 CA1 (0.51) CA1CA2HSD11B1HTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3140300-B1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS EVOTEC INT GMBH (DE) 2019-08-14 EP disclosed
US-10167296-B2 Sulfoximine substituted quinazolines for pharmaceutical compositions EVOTEC INTERNATIONAL GMBH (DE) 2019-01-01 US disclosed
US-20170260195-A1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2017-09-14 US disclosed
EP-3140300-A1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS Evotec International GmbH (DE) 2017-03-15 EP disclosed
WO-2015169677-A1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-12 WO disclosed
EP-1272185-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2003-01-08 EP disclosed
EP-1218353-A1 QUINAZOLINE DERIVATIVES AstraZeneca UK Limited (GB) 2002-07-03 EP disclosed
WO-2002002534-A1 QUINAZOLINES WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2002-01-10 WO disclosed
WO-2001066099-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2001-09-13 WO disclosed
WO-2001004102-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-01-18 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-20170260195-A1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS NEK5, PDXK, NEK2 EGFR 3584/4885CA1 3908/4885CA2 2265/4885
US-10167296-B2 Sulfoximine substituted quinazolines for pharmaceutical compositions NEK5, PDXK, NEK2 EGFR 3645/4885CA1 3971/4885CA2 2289/4885

“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.