SCHEMBL23072001

SCHEMBL23072001

Clc1cn(-c2ccc(Cl)nn2)cn1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
BPTF Q12830 1/20 0.42
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
AR P10275 1/20 0.38
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL11181015 0.83 SCD (0.42) CYP1A2BPTFCHRNB2CHRNA4KMT2A
SCHEMBL21623939 0.79 CYP1A2 (0.38) CYP1A2BPTFCHRNB2CHRNA4KMT2A
SCHEMBL31556859 0.79 CYP1A2 (0.38) CYP1A2BPTFCHRNB2CHRNA4KMT2A
SCHEMBL23072027 0.79 CYP1A2 (0.38) CYP1A2BPTFCHRNB2CHRNA4KMT2A
SCHEMBL21623961 0.78 KDM4E (0.51) CYP1A2BPTFKMT2AALDH1A1LMNA
SCHEMBL21623957 0.77 CYP1A2 (0.36) CYP1A2BPTFCHRNB2CHRNA4KMT2A
SCHEMBL21623955 0.77 CYP1A2 (0.36) CYP1A2BPTFCHRNB2CHRNA4KMT2A
SCHEMBL24385543 0.77 ALDH1A1 (0.40) CYP1A2BPTFKMT2AALDH1A1LMNA
SCHEMBL31556854 0.77 CYP1A2 (0.36) CYP1A2BPTFCHRNB2CHRNA4KMT2A
SCHEMBL31556858 0.77 CYP1A2 (0.36) CYP1A2BPTFCHRNB2CHRNA4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210147393-A1 DIFLUOROMETHYL-PHENYL TRIAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-05-20 US disclosed
US-10941137-B2 Difluoromethyl-phenyl triazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-09 US 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-10941137-B2 Difluoromethyl-phenyl triazoles GABRA5, GABRB1, GABRA1 CYP1A2 164/4885BPTF 2265/4885CHRNB2 157/4885
US-20210147393-A1 DIFLUOROMETHYL-PHENYL TRIAZOLES GABRA5, GABRB1, GABRA1 CYP1A2 157/4885BPTF 2248/4885CHRNB2 166/4885

“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.