SCHEMBL5652378

SCHEMBL5652378

Cc1cn2c(C(F)(F)F)nnc2cn1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.56
SCN5A Q14524 12/20 0.46
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL21076960 0.84 CYP1A2 (0.40) CYP1A2SCN5A
SCHEMBL20190553 0.79 CYP1A2 (0.49) CYP1A2SCN5ASCN1ASCN2AALDH1A1
SCHEMBL18357673 0.75 KDM4E (0.32) CYP1A2
SCHEMBL17611609 0.75 CYP1A2 (0.46) CYP1A2SCN5ASCN1ASCN2AALDH1A1
SCHEMBL31569340 0.74 SCN5A (0.45) CYP1A2SCN5A
SCHEMBL13757316 0.73 SCN5A (0.59) CYP1A2SCN5ASCN1ASCN2AALDH1A1
SCHEMBL20203851 0.73 CYP1A2 (1.00) CYP1A2SCN5A
SCHEMBL16946874 0.72 PIM1 (0.41) CYP1A2
SCHEMBL20400230 0.72 KDM4E (0.40) CYP1A2ALDH1A1
SCHEMBL20203995 0.71 CYP1A2 (0.67) CYP1A2SCN5ASCN1ASCN2A

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-20240059691-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2024-02-22 US disclosed
EP-4255900-A2 ENZYME INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2023-10-11 EP disclosed
WO-2022118016-A2 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-06-09 WO disclosed
WO-2022118016-A2 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-06-09 WO disclosed
US-7307164-B2 β-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-12-11 US disclosed
US-20050107390-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. 2005-05-19 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-20050107390-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 CYP1A2 1250/4885SCN5A 1294/4885SCN1A 3261/4885
US-20240059691-A1 ENZYME INHIBITORS SERPINB1, XDH, ACE CYP1A2 26/4885SCN5A 1309/4885SCN1A 2260/4885

“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.