SCHEMBL23072040

SCHEMBL23072040

N#Cc1ccn(-c2ccc(Cl)nn2)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.42
▸ BPTF Q12830 1/20 0.37
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ NOTUM Q6P988 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
SCHEMBL24240276 0.74 CYP1A2 (0.46) CYP1A2BPTFCHRNB2CHRNA4KMT2A
SCHEMBL23071933 0.70 CYP1A2 (0.42) CYP1A2BPTFCHRNB2CHRNA4KMT2A
SCHEMBL732152 0.69 — —
SCHEMBL3552310 0.69 IRAK4 (0.31) —
SCHEMBL24240164 0.69 BPTF (0.39) CYP1A2BPTFCHRNB2CHRNA4KMT2A
SCHEMBL21623939 0.69 CYP1A2 (0.38) CYP1A2BPTFCHRNB2CHRNA4KMT2A
SCHEMBL30232693 0.69 KCNJ1 (0.36) ALDH1A1
SCHEMBL30643765 0.69 BPTF (0.39) CYP1A2BPTFCHRNB2CHRNA4KMT2A
SCHEMBL26107606 0.69 KCNJ1 (0.36) ALDH1A1
SCHEMBL7674620 0.68 GRM5 (0.56) CYP1A2KMT2ARAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (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 2265/4885CHRNB2 157/4885
US-20230286946-A1 DIFLUOROMETHYL-PYRIDIN-2-YL TRIAZOLES GABRA5, GABRA3, GABRA2 CYP1A2 150/4885BPTF 2285/4885CHRNB2 61/4885
US-20210147393-A1 DIFLUOROMETHYL-PHENYL TRIAZOLES GABRA5, GABRB1, GABRA1 CYP1A2 157/4885BPTF 2248/4885CHRNB2 166/4885

“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.

Send feedback