Sugi Predict

Sugi Predict / Compounds / SCHEMBL23769151

SCHEMBL23769151

SCHEMBL23769151

CCOC(=O)c1cnn(Cc2ccc(N3CC4C(C3)C4(F)F)cn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 5/20 0.40
▸ GRM2 Q14416 1/20 0.39
▸ BTK Q06187 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ DPP4 P27487 1/20 0.33
▸ PREP P48147 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PDE4A P27815 2/20 0.33
▸ PDE4B Q07343 2/20 0.33
▸ PDE4C Q08493 2/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ PDE10A Q9Y233 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
SCHEMBL23769182 0.87 BTK (0.40) KLKB1GRM2BTKALDH1A1TSHR
SCHEMBL23843089 0.86 BTK (0.40) KLKB1BTK
SCHEMBL23768855 0.86 BTK (0.40) KLKB1BTK
SCHEMBL23754334 0.84 KLKB1 (0.43) KLKB1GRM2BTKALDH1A1TSHR
SCHEMBL23769319 0.84 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2HPGDMAPK1
SCHEMBL23769286 0.83 GRM2 (0.39) KLKB1GRM2ALDH1A1TSHRSMN1; SMN2
SCHEMBL29906560 0.83 GRM2 (0.39) KLKB1GRM2ALDH1A1TSHRSMN1; SMN2
SCHEMBL23753977 0.83 KLKB1 (0.42) KLKB1GRM2BTKALDH1A1TSHR
SCHEMBL23754004 0.82 KLKB1 (0.42) KLKB1GRM2BTKALDH1A1TSHR
SCHEMBL29906584 0.82 KLKB1 (0.42) KLKB1GRM2BTKALDH1A1TSHR

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 1/4885GRM2 4051/4885BTK 1516/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885GRM2 4051/4885BTK 1516/4885

“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.