SCHEMBL23927209

SCHEMBL23927209

COc1ccc2c(c1Cl)C(c1c(F)cccc1F)=NCc1nnc(C3CC3)n1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
AVPR1A P37288 11/20 0.34
KCNH2 Q12809 7/20 0.34
GRM2 Q14416 3/20 0.34
PTAFR P25105 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRG2 P18507 1/20 0.33
HTR2A P28223 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRK1 P41145 1/20 0.33
PDE4D Q08499 1/20 0.33
AVPR2 P30518 1/20 0.33
GABRB2 P47870 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
SCHEMBL30202120 0.85 TDP1 (0.34) AVPR1AKCNH2PTAFRGABRA1GABRA5
SCHEMBL23927131 0.85 TDP1 (0.34) AVPR1AKCNH2PTAFRGABRA1GABRA5
SCHEMBL23927221 0.81 PTAFR (0.35) SMN1; SMN2HPGDALDH1A1LMNAAVPR1A
SCHEMBL23927223 0.81 PTAFR (0.35) SMN1; SMN2HPGDALDH1A1LMNAAVPR1A
SCHEMBL30201891 0.80 AVPR1A (0.35) AVPR1AKCNH2PTAFRGABRA1GABRA5
SCHEMBL23927129 0.80 AVPR1A (0.35) AVPR1AKCNH2PTAFRGABRA1GABRA5
SCHEMBL30202086 0.79 SMN1; SMN2 (0.38) SMN1; SMN2HPGDALDH1A1LMNAAVPR1A
SCHEMBL23927195 0.79 SMN1; SMN2 (0.38) SMN1; SMN2HPGDALDH1A1LMNAAVPR1A
SCHEMBL23927168 0.79 APLNR (0.42) SMN1; SMN2HPGDALDH1A1LMNAPTAFR
SCHEMBL30202174 0.79 APLNR (0.42) SMN1; SMN2HPGDALDH1A1LMNAPTAFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139310-B1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN LA ROCHE (CH) 2024-03-27 EP claimed
US-20230141603-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US claimed
EP-4139310-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2023-03-01 EP claimed
CN-115667262-A Benzodiazepine derivatives as GABAA γ 1PAM 豪夫迈·罗氏有限公司 2023-01-31 CN claimed
EP-3901155-A1 NEW BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2021-10-27 EP claimed
EP-4139310-B1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN LA ROCHE (CH) 2024-03-27 EP disclosed
US-20230141603-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US disclosed
US-20230141603-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US disclosed
US-20230141603-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US disclosed
EP-4139310-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2023-03-01 EP disclosed
WO-2021213952-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. HOFFMANN-LA ROCHE AG (CH) 2021-10-28 WO disclosed
WO-2021213952-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. HOFFMANN-LA ROCHE AG (CH) 2021-10-28 WO disclosed
EP-3901155-A1 NEW BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2021-10-27 EP disclosed
EP-3901155-A1 NEW BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2021-10-27 EP 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 (1 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-20230141603-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM GABRA1, GABRB1, GABRB3 SMN1; SMN2 1264/4885HPGD 2405/4885ALDH1A1 600/4885

“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.