SCHEMBL21623948

SCHEMBL21623948

Clc1ccc(-c2cncnc2)nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
STING1 Q86WV6 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
CYP2A6 P11509 2/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
CYP11B1 P15538 2/20 0.33
CYP19A1 P11511 3/20 0.32
XDH P47989 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL31556857 1.00 ATM (0.38) ATMSTING1MEN1KMT2AHTT
SCHEMBL1743044 0.78 CYP2A6 (0.56) MEN1KMT2AHTTCYP2A6MAPT
SCHEMBL15594502 0.78 MKNK1 (0.41) MEN1KMT2AHTTMAPTLMNA
SCHEMBL30368099 0.78 CYP2A6 (0.56) MEN1KMT2AHTTCYP2A6MAPT
SCHEMBL1740270 0.76 LMNA (0.43) MEN1KMT2AHTTMAPTALDH1A1
SCHEMBL29664429 0.76 LMNA (0.43) MEN1KMT2AHTTMAPTALDH1A1
SCHEMBL1456362 0.75 ALDH1A1 (0.46) MEN1KMT2AHTTMAPTALDH1A1
SCHEMBL15594493 0.75 CYP11B2 (0.40) MEN1KMT2AALDH1A1CYP11B1CYP17A1
SCHEMBL10843744 0.75 CYP2A6 (0.42) MEN1KMT2AHTTCYP2A6LMNA
SCHEMBL26818549 0.74 ATM (0.38) ATMSTING1CYP2A6LMNACYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3823967-B1 DIFLUOROMETHYL-PHENYL TRIAZOLES AS GABA RECEPTOR MODULATORS BOEHRINGER INGELHEIM INT (DE) 2022-08-31 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 (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 ATM 4413/4885STING1 4232/4885MEN1 2981/4885
US-20210147393-A1 DIFLUOROMETHYL-PHENYL TRIAZOLES GABRA5, GABRB1, GABRA1 ATM 4437/4885STING1 4152/4885MEN1 2860/4885

“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.