SCHEMBL14940254

SCHEMBL14940254

Cc1cc(Br)cc(C)c1Oc1nc(N)nc(Nc2ccc(C#N)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 6/20 0.62
▸ CYP2C19 P33261 6/20 0.62
▸ KCNH2 Q12809 4/20 0.62
▸ CYP3A4 P08684 3/20 0.62
▸ CYP2D6 P10635 3/20 0.62
▸ ABCC3 O15438 1/20 0.62
▸ ESR1 P03372 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ PGR P06401 1/20 0.62
▸ CHRM2 P08172 1/20 0.62
▸ ABCB1 P08183 1/20 0.62
▸ ADRA2A P08913 1/20 0.62
▸ CHRM1 P11229 1/20 0.62
▸ DRD1 P21728 1/20 0.62
▸ PTGS1 P23219 1/20 0.62
▸ SLC6A2 P23975 1/20 0.62
▸ ADORA1 P30542 1/20 0.62
▸ ABCC1 P33527 1/20 0.62
▸ OPRM1 P35372 1/20 0.62
▸ ABCC2 Q92887 1/20 0.62

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
SCHEMBL1181707 0.93 CYP2C9 (0.54) CYP2C9CYP2C19KCNH2CYP3A4CYP2D6
SCHEMBL1884053 0.91 CYP2C9 (0.58) CYP2C9CYP2C19KCNH2CYP3A4CYP2D6
SCHEMBL1182267 0.89 CYP2C9 (0.56) CYP2C9CYP2C19KCNH2CYP3A4CYP2D6
SCHEMBL1182702 0.89 KCNH2 (0.50) CYP2C9CYP2C19KCNH2CYP3A4CYP2D6
SCHEMBL15277694 0.88 CYP2C9 (0.57) CYP2C9CYP2C19KCNH2CYP3A4CYP2D6
SCHEMBL1182308 0.87 CYP2C9 (0.54) CYP2C9CYP2C19KCNH2CYP3A4CYP2D6
SCHEMBL1182652 0.87 CYP2C9 (0.53) CYP2C9CYP2C19KCNH2CYP3A4CYP2D6
SCHEMBL14940602 0.87 CYP2C9 (0.56) CYP2C9CYP2C19KCNH2CYP3A4CYP2D6
SCHEMBL1182647 0.86 CYP2C9 (0.53) CYP2C9CYP2C19KCNH2CYP3A4CYP2D6
SCHEMBL18856541 0.85 CYP2C9 (0.53) CYP2C9CYP2C19KCNH2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2828244-B1 TRIAZINES WITH SUITABLE SPACERS FOR TREATMENT AND/OR PREVENTION OF HIV INFECTIONS UNIV ANTWERPEN (BE) 2017-11-15 — — EP disclosed
US-9650348-B2 Triazines with suitable spacers for treatment and/or prevention of HIV infections UNIVERSITEIT ANTWERPEN (BE) 2017-05-16 — — US disclosed
US-9650348-B2 Triazines with suitable spacers for treatment and/or prevention of HIV infections UNIVERSITEIT ANTWERPEN (BE) 2017-05-16 — — US disclosed
US-9650348-B2 Triazines with suitable spacers for treatment and/or prevention of HIV infections UNIVERSITEIT ANTWERPEN (BE) 2017-05-16 — — US disclosed
US-20150126510-A1 Triazines With Suitable Spacers for Treatment And/Or Prevention of HIV Infections UNIVERSITEIT ANTWERPEN (BE) 2015-05-07 — — US disclosed
US-20140323488-A1 DISUBSTITUTED TRIAZINE DIMERS FOR TREATMENT AND/OR PREVENTION OF INFECTIOUS DISEASES UNIVERSITEIT ANTWERPEN (BE) 2014-10-30 — — US disclosed
US-20140323488-A1 DISUBSTITUTED TRIAZINE DIMERS FOR TREATMENT AND/OR PREVENTION OF INFECTIOUS DISEASES UNIVERSITEIT ANTWERPEN (BE) 2014-10-30 — — US disclosed
EP-2776410-A1 DISUBSTITUTED TRIAZINE DIMERS FOR TREATMENT AND/OR PREVENTION OF INFECTIOUS DISEASES Universiteit Antwerpen (BE) 2014-09-17 — — EP disclosed
WO-2013068551-A1 DISUBSTITUTED TRIAZINE DIMERS FOR TREATMENT AND/OR PREVENTION OF INFECTIOUS DISEASES UNIVERSITEIT ANTWERPEN (BE) 2013-05-16 — — 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-20140323488-A1 DISUBSTITUTED TRIAZINE DIMERS FOR TREATMENT AND/OR PREVENTION OF INFECTIOUS DISEASES TBC1D15, TBC1D5, DHFR CYP2C9 2440/4885CYP2C19 2194/4885KCNH2 1850/4885
US-20150126510-A1 Triazines With Suitable Spacers for Treatment And/Or Prevention of HIV Infections IKZF2, IKZF3, BAZ2A CYP2C9 4746/4885CYP2C19 4655/4885KCNH2 2923/4885

“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.

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