SCHEMBL23072039

SCHEMBL23072039

O=Cc1cn(-c2ccc(-n3cnc(C=O)c3)nn2)cn1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
KCNJ1 P48048 3/20 0.32
SCD O00767 1/20 0.32
CCR1 P32246 1/20 0.30

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
SCHEMBL15542791 0.90 CYP1A2 (0.38)
SCHEMBL2890582 0.79 GRIN2D (0.37) KCNJ1
SCHEMBL30444621 0.79 SCD (0.40) KCNJ1SCD
SCHEMBL8738098 0.79 SCD (0.40) KCNJ1SCD
SCHEMBL16827592 0.78 SMN1; SMN2 (0.43)
SCHEMBL7563959 0.74 P2RX7 (0.50) P2RX7
SCHEMBL15974157 0.74 KDM4C (0.46)
SCHEMBL6653251 0.74 KDM4E (0.35) KCNJ1
SCHEMBL24638428 0.74 RPS6KA5 (0.36)
SCHEMBL28489863 0.72 KDM4E (0.43)

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 P2RX7 140/4885KCNJ1 450/4885SCD 4646/4885
US-20210147393-A1 DIFLUOROMETHYL-PHENYL TRIAZOLES GABRA5, GABRB1, GABRA1 P2RX7 147/4885KCNJ1 461/4885SCD 4606/4885

“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.