SCHEMBL23072043

SCHEMBL23072043

OB(O)c1cncc(-n2ccnc2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
CYP2A6 P11509 1/20 0.47
ENPP2 Q13822 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
CYP19A1 P11511 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
NOTUM Q6P988 1/20 0.41
IDO1 P14902 1/20 0.40
BAZ2B Q9UIF8 1/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
CRBN Q96SW2 1/20 0.38
ADH5 P11766 3/20 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
SCHEMBL30463031 0.81 CYP3A4 (0.61) CYP3A4CYP2A6ENPP2MKNK1MKNK2
SCHEMBL15770888 0.77 ENPP2 (0.63) CYP3A4CYP2A6ENPP2MKNK1MKNK2
SCHEMBL25159951 0.73 ENPP2 (0.39) CYP3A4CYP2A6ENPP2MKNK1MKNK2
SCHEMBL2693122 0.73 CYP3A4 (0.61) CYP3A4CYP2A6ENPP2MKNK1MKNK2
SCHEMBL1559218 0.73 CYP3A4 (0.52) CYP3A4CYP2A6ENPP2MKNK1MKNK2
SCHEMBL14908640 0.73 LMNA (0.58) CYP3A4CYP2A6ENPP2MKNK1MKNK2
SCHEMBL17819393 0.72 CYP3A4 (0.47) CYP3A4CYP2A6ENPP2MKNK1MKNK2
SCHEMBL29956144 0.71 ENPP2 (0.39) CYP3A4CYP2A6ENPP2MKNK1MKNK2
SCHEMBL31057726 0.71 KDM4E (0.44) LMNAMAPTNOTUMMEN1KMT2A
Hydrochloric Acid SCHEMBL30710779 0.70 KDM4E (0.43) LMNAMAPTNOTUMMEN1KMT2A

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 CYP3A4 253/4885CYP2A6 478/4885ENPP2 3748/4885
US-20210147393-A1 DIFLUOROMETHYL-PHENYL TRIAZOLES GABRA5, GABRB1, GABRA1 CYP3A4 233/4885CYP2A6 474/4885ENPP2 3770/4885

“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.