SCHEMBL23072027

SCHEMBL23072027

CSc1cn(-c2ccc(Cl)nn2)cn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 2/20 0.36
BPTF Q12830 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL23072001 0.79 CYP1A2 (0.44) CYP1A2KMT2ABPTFSMN1; SMN2RAB9A
SCHEMBL11181015 0.78 SCD (0.42) CYP1A2KMT2ABPTFSMN1; SMN2RAB9A
SCHEMBL31556854 0.72 CYP1A2 (0.36) CYP1A2KMT2ABPTFSMN1; SMN2RAB9A
SCHEMBL21623957 0.72 CYP1A2 (0.36) CYP1A2KMT2ABPTFSMN1; SMN2RAB9A
SCHEMBL31556858 0.72 CYP1A2 (0.36) CYP1A2KMT2ABPTFSMN1; SMN2RAB9A
SCHEMBL21623955 0.72 CYP1A2 (0.36) CYP1A2KMT2ABPTFSMN1; SMN2RAB9A
SCHEMBL21623939 0.71 CYP1A2 (0.38) CYP1A2KMT2ABPTFALDH1A1CHRNB2
SCHEMBL15542949 0.71 CYP1A2 (0.38) CYP1A2KMT2ABPTFALDH1A1CHRNB2
SCHEMBL15011617 0.71 SCD (0.42) CYP1A2KMT2ABPTFSMN1; SMN2ALDH1A1
SCHEMBL31556859 0.71 CYP1A2 (0.38) CYP1A2KMT2ABPTFALDH1A1CHRNB2

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 164/4885KMT2A 3263/4885BPTF 2265/4885
US-20210147393-A1 DIFLUOROMETHYL-PHENYL TRIAZOLES GABRA5, GABRB1, GABRA1 CYP1A2 157/4885KMT2A 3247/4885BPTF 2248/4885

“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.