SCHEMBL12715617

SCHEMBL12715617

C/C(C#N)=C\c1cc(C)c(N)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.45
▸ GABRG2 P18507 2/20 0.45
▸ GABRB3 P28472 2/20 0.45
▸ EGFR P00533 6/20 0.43
▸ ERBB2 P04626 2/20 0.43
▸ ALDH1A1 P00352 7/20 0.38
▸ CYP3A4 P08684 4/20 0.38
▸ TSHR P16473 4/20 0.38
▸ TDP1 Q9NUW8 4/20 0.38
▸ TP53 P04637 3/20 0.38
▸ LMNA P02545 4/20 0.34
▸ HPGD P15428 4/20 0.34
▸ MAPT P10636 6/20 0.33
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ BLM P54132 4/20 0.33
▸ RGS12 O14924 3/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ ALOX15 P16050 3/20 0.33
▸ NFKB1 P19838 3/20 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
SCHEMBL12715623 1.00 GABRA1 (0.45) GABRA1GABRG2GABRB3EGFRERBB2
SCHEMBL13681481 0.85 EGFR (0.52) EGFRERBB2ALDH1A1CYP3A4TDP1
SCHEMBL13681565 0.84 EGFR (0.46) GABRA1GABRG2GABRB3EGFRERBB2
SCHEMBL17884073 0.81 EGFR (0.43) GABRA1GABRG2GABRB3EGFRERBB2
SCHEMBL17873660 0.81 EGFR (0.43) GABRA1GABRG2GABRB3EGFRERBB2
SCHEMBL17873661 0.81 EGFR (0.43) GABRA1GABRG2GABRB3EGFRERBB2
SCHEMBL13681521 0.78 EGFR (0.41) GABRA1GABRG2GABRB3EGFRERBB2
SCHEMBL21056104 0.78 GABRA1 (0.49) GABRA1GABRG2GABRB3EGFRERBB2
SCHEMBL21056103 0.78 GABRA1 (0.49) GABRA1GABRG2GABRB3EGFRERBB2
SCHEMBL21134491 0.78 GABRA1 (0.49) GABRA1GABRG2GABRB3EGFRERBB2

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
EP-1797050-B1 HIV INHIBITING 1.2.4-TRIAZIN-6-ONE DERIVATES JANSSEN PHARMACEUTICA NV (BE) 2013-10-23 — — EP disclosed
US-7923554-B2 HIV inhibiting 1,2,4-triazin-6-one derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2011-04-12 — — US disclosed
US-7923554-B2 HIV inhibiting 1,2,4-triazin-6-one derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2011-04-12 — — US disclosed
US-20090012092-A1 Hiv Inhibiting 1,2,4-Triazin-6-One Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-08 — — US disclosed
US-20090012092-A1 Hiv Inhibiting 1,2,4-Triazin-6-One Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-08 — — US disclosed
WO-2008080965-A2 HIV INHIBITING 5,6-SUBSTITUTED PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-07-10 — — 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-20090012092-A1 Hiv Inhibiting 1,2,4-Triazin-6-One Derivatives NCOR1, NR1H3, NCOA3 GABRA1 1960/4885GABRG2 3295/4885GABRB3 1131/4885

“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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