SCHEMBL4852270

SCHEMBL4852270

Cc1ccc(=NC#N)n(-c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.40
HTT P42858 1/20 0.39
NOTUM Q6P988 1/20 0.39
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C8 P10632 1/20 0.38
SCN2B O60939 2/20 0.38
SCN1B Q07699 2/20 0.38
SCN5A Q14524 2/20 0.38
SCN9A Q15858 2/20 0.38
SCN1A P35498 1/20 0.38
NFE2L2 Q16236 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP11B2 P19099 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL14269328 1.00 CTSK (0.40) CTSKHTTNOTUMCYP2C19CYP1A2
SCHEMBL4857558 0.80 SCN2B (0.44) HTTNOTUMCYP2C19CYP1A2CYP3A4
SCHEMBL4857564 0.80 SCN2B (0.44) HTTNOTUMCYP2C19CYP1A2CYP3A4
SCHEMBL14269331 0.79 ALDH1A1 (0.40) HTTNOTUMCYP2C19CYP1A2CYP3A4
SCHEMBL4850390 0.79 ALDH1A1 (0.40) HTTNOTUMCYP2C19CYP1A2CYP3A4
SCHEMBL4852106 0.79 NOTUM (0.46) HTTNOTUMCYP2C19CYP1A2CYP3A4
SCHEMBL4852112 0.79 NOTUM (0.46) HTTNOTUMCYP2C19CYP1A2CYP3A4
SCHEMBL4850388 0.79 ALDH1A1 (0.40) HTTNOTUMCYP2C19CYP1A2CYP3A4
SCHEMBL4858973 0.78 SCN2B (0.43) HTTNOTUMCYP2C19CYP1A2CYP3A4
SCHEMBL4858968 0.78 SCN2B (0.43) HTTNOTUMCYP2C19CYP1A2CYP3A4

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
US-7329757-B2 Substituted iminoazines BAYER AKTIENGESELLSCHAFT (DE) 2008-02-12 US disclosed
US-7186834-B2 Substituted iminoazines BAYER AKTIENGESELLSCHAFT (DE) 2007-03-06 US disclosed
US-20060122062-A1 Substituted iminoazines MULLER KLAUS-HELMUT 2006-06-08 US disclosed
US-20040029881-A1 Substituted iminoazines BAYER AKTIENGESELLSCHAFT (DE) 2004-02-12 US disclosed
EP-1286968-A2 SUBSTITUTED IMINOAZINES Bayer Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2001090071-A2 SUBSTITUTED IMINOAZINES USED AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2001-11-29 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-20060122062-A1 Substituted iminoazines IDH2, DDT, CYP1A2 CTSK 4537/4885HTT 1976/4885NOTUM 1583/4885
US-20040029881-A1 Substituted iminoazines CYP4Z1, DDT, CYP1A1 CTSK 4420/4885HTT 2198/4885NOTUM 1635/4885

“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.