SCHEMBL23769191

SCHEMBL23769191

CCOC(=O)c1cn(Cc2ccc(N3CC4C(C3)C4(F)F)nc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 5/20 0.46
BTK Q06187 1/20 0.41
NOTUM Q6P988 1/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KMT2A Q03164 2/20 0.34
P2RY12 Q9H244 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GRM2 Q14416 1/20 0.33
CACNA1H O95180 1/20 0.33

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
SCHEMBL21736670 0.88 KLKB1 (0.56) KLKB1BTKNOTUMHPGDSMN1; SMN2
SCHEMBL23769226 0.86 KLKB1 (0.45) KLKB1BTK
SCHEMBL23754036 0.84 KLKB1 (0.48) KLKB1NOTUMNPC1RAB9AKDM4E
SCHEMBL31357813 0.84 KLKB1 (0.48) KLKB1NOTUMNPC1RAB9AKDM4E
SCHEMBL23843064 0.84 KLKB1 (0.49) KLKB1NOTUMNPC1RAB9AKDM4E
SCHEMBL21736650 0.84 KLKB1 (0.49) KLKB1NOTUMNPC1RAB9AKDM4E
SCHEMBL23769181 0.84 KLKB1 (0.49) KLKB1NOTUMNPC1RAB9AKDM4E
SCHEMBL23843069 0.84 ALDH1A1 (0.53) BTKHPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL21736897 0.83 KLKB1 (0.56) KLKB1NOTUMHPGDSMN1; SMN2NPC1
SCHEMBL23768923 0.83 KLKB1 (0.50) KLKB1NOTUMNPC1RAB9AKDM4E

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 1/4885BTK 1516/4885NOTUM 627/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885BTK 1516/4885NOTUM 627/4885

“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.