SCHEMBL14940279

SCHEMBL14940279

Cc1cc(C)c(Oc2nc(Cl)nc(Nc3cccc(C#N)c3)n2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ ABCG2 Q9UNQ0 4/20 0.43
▸ POLB P06746 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.41
▸ CDC7 O00311 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ ADORA1 P30542 2/20 0.41
▸ ABCC3 O15438 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CHRM1 P11229 1/20 0.41

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
SCHEMBL14940095 0.88 CYP2C9 (0.53) SLC2A1NFKB1ABCG2HSP90AA1ADORA1
SCHEMBL14940610 0.87 SLC2A1 (0.48) SLC2A1ABCG2POLBHSP90AA1CDC7
SCHEMBL14940245 0.84 NFKB1 (0.54) NFKB1POLBKMT2AHSP90AA1APP
SCHEMBL16195781 0.83 SLC2A1 (0.50) SLC2A1ABCG2CDC7ADORA1ABCC3
SCHEMBL16195734 0.83 SLC2A1 (0.52) SLC2A1ABCG2POLBCDC7SYK
SCHEMBL14369688 0.82 CYP2C9 (0.59) NFKB1ABCG2HSP90AA1ADORA1ABCC3
SCHEMBL14940584 0.82 HSP90AA1 (0.50) SLC2A1NFKB1ABCG2KMT2AHSP90AA1
SCHEMBL14940663 0.81 CYP2C9 (0.53) NFKB1ABCG2POLBHSP90AA1ADORA1
SCHEMBL16206671 0.80 CYP2C9 (0.46) ABCG2KMT2AADORA1ABCC3ESR1
SCHEMBL8973372 0.79 NFKB1 (0.59) SLC2A1NFKB1ABCG2POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 SLC2A1 1530/4885NFKB1 559/4885ABCG2 2396/4885

“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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