SCHEMBL23769686

SCHEMBL23769686

CCOC(=O)c1cnn(Cc2cnc(Cl)nc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.41
KLKB1 P03952 6/20 0.39
LMNA P02545 1/20 0.38
ATF1 P18846 1/20 0.37
NFKB1 P19838 1/20 0.37
SYK P43405 1/20 0.36
ENPP2 Q13822 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL23769638 0.85 L3MBTL1 (0.48) KLKB1L3MBTL1
SCHEMBL20541407 0.79 GRM2 (0.47) GRM2KLKB1LMNAGABRA2GABRB2
SCHEMBL29906601 0.79 GRM2 (0.47) GRM2KLKB1LMNAGABRA2GABRB2
SCHEMBL21736734 0.79 KLKB1 (0.41) GRM2KLKB1ENPP2ALDH1A1
SCHEMBL23469581 0.79 KLKB1 (0.56) GRM2KLKB1
SCHEMBL21713031 0.76 KLKB1 (0.45) GRM2KLKB1
SCHEMBL31033242 0.76 KLKB1 (0.45) GRM2KLKB1
SCHEMBL3092869 0.76 HSD17B10 (0.51) GRM2KLKB1LMNAGABRA2GABRB2
SCHEMBL21281621 0.76 MAOB (0.45) GRM2KLKB1ALDH1A1
SCHEMBL1909166 0.76 GRM2 (0.53) GRM2KLKB1LMNACYP1A2ALDH1A1

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 GRM2 4051/4885KLKB1 1/4885LMNA 2081/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 GRM2 4051/4885KLKB1 1/4885LMNA 2081/4885

“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.