SCHEMBL23769331

SCHEMBL23769331

O=C(O)c1cn(Cc2ccc(N3CC4C(C3)C4(F)F)nc2F)cn1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 15/20 0.49
KDM4A O75164 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
RBP4 P02753 1/20 0.32
BTK Q06187 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP30 Q70CQ3 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
SCHEMBL21736742 0.90 KLKB1 (0.51) KLKB1KDM4E
SCHEMBL23769644 0.90 KLKB1 (0.48) KLKB1KDM4AKDM5AKDM4CKDM5B
SCHEMBL23843094 0.90 KLKB1 (0.48) KLKB1RBP4BTKKDM4EUSP30
SCHEMBL23769220 0.90 KLKB1 (0.48) KLKB1RBP4BTKKDM4EUSP30
SCHEMBL23769228 0.89 KLKB1 (0.47) KLKB1RBP4BTK
SCHEMBL23769624 0.88 KLKB1 (0.62) KLKB1RBP4BTKUSP30
SCHEMBL23769169 0.88 KLKB1 (0.48) KLKB1RBP4KDM4E
SCHEMBL23769534 0.87 KLKB1 (0.48) KLKB1KDM4E
SCHEMBL23769243 0.87 KLKB1 (0.47) KLKB1KDM4AKDM5AKDM4CKDM5B
SCHEMBL23769181 0.86 KLKB1 (0.49) KLKB1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-09-23 US disclosed
WO-2021160718-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-08-19 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-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885KDM4A 378/4885KDM5A 334/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885KDM4A 378/4885KDM5A 334/4885

“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.