SCHEMBL21736657

SCHEMBL21736657

CCOC(=O)c1cn(Cc2cnc(N3C[C@@H]4[C@H](C)[C@@H]4C3)nc2C)cn1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 7/20 0.58
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PIK3CD O00329 1/20 0.35
NOTUM Q6P988 1/20 0.34
ALOX15 P16050 1/20 0.34
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
ACACB O00763 2/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
CYP1A2 P05177 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
SCHEMBL21736655 0.89 KLKB1 (0.47) KLKB1POLBMAPTPIK3CDNOTUM
SCHEMBL21736661 0.88 KLKB1 (0.61) KLKB1POLBKDM4E
SCHEMBL31741465 0.88 KLKB1 (0.61) KLKB1POLBKDM4E
SCHEMBL21736660 0.87 KLKB1 (0.45) KLKB1POLBMAPTPIK3CDNOTUM
SCHEMBL31741474 0.84 KLKB1 (0.58) KLKB1NOTUMKMT2AKDM4ECYP1A2
SCHEMBL21736748 0.84 KLKB1 (0.58) KLKB1NOTUMKMT2AKDM4ECYP1A2
SCHEMBL21736659 0.83 KLKB1 (0.41) KLKB1POLBMAPTNOTUMNR1H2
SCHEMBL22166223 0.79 KLKB1 (0.54) KLKB1NR1H2KDM4E
SCHEMBL23769679 0.79 KLKB1 (0.49) KLKB1POLBNOTUMGAAKMT2A
SCHEMBL23769314 0.79 KLKB1 (0.49) KLKB1NOTUMALDH1A1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-30 US disclosed
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-02-20 US disclosed
WO-2020035540-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-02-20 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-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885POLB 3970/4885MAPT 3454/4885
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885POLB 3970/4885MAPT 3454/4885

“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.