SCHEMBL21623939

SCHEMBL21623939

N#Cc1cn(-c2ccc(Cl)nn2)cn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
BPTF Q12830 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
ALDH1A1 P00352 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
NOTUM Q6P988 1/20 0.31
P4HTM Q9NXG6 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
SCHEMBL21623960 0.90 MKNK1 (0.35) MKNK1MKNK2ALDH1A1P4HTM
SCHEMBL26237112 0.82 MKNK1 (0.32) MKNK1MKNK2P4HTM
SCHEMBL23072001 0.79 CYP1A2 (0.44) CYP1A2BPTFALDH1A1CHRNB2CHRNA4
SCHEMBL24385685 0.78 PANK3 (0.36) MKNK1MKNK2P4HTM
SCHEMBL24240290 0.75 MKNK1 (0.34) MKNK1MKNK2P4HTM
SCHEMBL11181015 0.75 SCD (0.42) CYP1A2BPTFCHRNB2CHRNA4KMT2A
SCHEMBL31556859 0.74 CYP1A2 (0.38) CYP1A2BPTFALDH1A1CHRNB2CHRNA4
SCHEMBL15542949 0.74 CYP1A2 (0.38) CYP1A2BPTFALDH1A1CHRNB2CHRNA4
SCHEMBL24385535 0.72 STING1 (0.47) CYP1A2BPTF
SCHEMBL19402220 0.71 MAP4K4 (0.42) CYP1A2MKNK1MKNK2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112424197-B Difluoromethyl-phenyltriazoles as modulators of GABA receptors 勃林格殷格翰国际公司 2025-04-22 CN disclosed
US-20230286946-A1 DIFLUOROMETHYL-PYRIDIN-2-YL TRIAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-14 US disclosed
US-20230286946-A1 DIFLUOROMETHYL-PYRIDIN-2-YL TRIAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-14 US disclosed
EP-3823967-B1 DIFLUOROMETHYL-PHENYL TRIAZOLES AS GABA RECEPTOR MODULATORS BOEHRINGER INGELHEIM INT (DE) 2022-08-31 EP disclosed
EP-3992188-A1 DIFLUOROMETHYL-PYRIDIN-2-YL TRIAZOLES Boehringer Ingelheim International GmbH (DE) 2022-05-04 EP disclosed
EP-3950683-A1 DIFLUOROMETHYL-PYRIDIN-2-YL TRIAZOLES Boehringer Ingelheim International GmbH (DE) 2022-02-09 EP disclosed
EP-3823967-A1 DIFLUOROMETHYL-PHENYL TRIAZOLES AS GABA RECEPTOR MODULATORS Boehringer Ingelheim International GmbH (DE) 2021-05-26 EP disclosed
US-20210147393-A1 DIFLUOROMETHYL-PHENYL TRIAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-05-20 US disclosed
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
US-10941137-B2 Difluoromethyl-phenyl triazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-09 US disclosed
CN-112424197-A Difluoromethyl-phenyl triazoles as GABA receptor modulators 勃林格殷格翰国际公司 2021-02-26 CN disclosed
WO-2020016443-A1 DIFLUOROMETHYL-PHENYL TRIAZOLES AS GABA RECEPTOR MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-01-23 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 (3 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 2265/4885MKNK1 3213/4885
US-20230286946-A1 DIFLUOROMETHYL-PYRIDIN-2-YL TRIAZOLES GABRA5, GABRA3, GABRA2 CYP1A2 150/4885BPTF 2285/4885MKNK1 3089/4885
US-20210147393-A1 DIFLUOROMETHYL-PHENYL TRIAZOLES GABRA5, GABRB1, GABRA1 CYP1A2 157/4885BPTF 2248/4885MKNK1 3228/4885

“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.