SCHEMBL23830221

SCHEMBL23830221

Cc1c(-c2cccnc2)noc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
GPR35 Q9HC97 2/20 0.45
NPY5R Q15761 1/20 0.44
KMO O15229 2/20 0.44
CYP2A6 P11509 1/20 0.44
GABRA5 P31644 1/20 0.42
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
APP P05067 1/20 0.41
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41

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
SCHEMBL23830224 0.79 MKNK1 (0.46) ALDH1A1KDM4EPOLBL3MBTL1MKNK1
SCHEMBL16333641 0.79 ALDH1A1 (0.63) ALDH1A1KDM4EPOLBL3MBTL1MKNK1
SCHEMBL27612492 0.75 TDO2 (0.50) ALDH1A1KDM4EMKNK1MKNK2NPY5R
SCHEMBL5424589 0.74 MKNK1 (0.58) ALDH1A1KDM4EPOLBL3MBTL1MKNK1
SCHEMBL16245833 0.74 LMNA (0.47) ALDH1A1KDM4EGABRA5LMNAGAA
SCHEMBL30529886 0.74 MKNK1 (0.50) ALDH1A1KDM4EL3MBTL1MKNK1MKNK2
SCHEMBL23830218 0.73 MKNK1 (0.46) ALDH1A1KDM4EMKNK1MKNK2GPR35
SCHEMBL6315186 0.73 TDO2 (0.49) ALDH1A1KDM4EPOLBL3MBTL1MKNK1
SCHEMBL12544175 0.72 ALDH1A1 (0.58) ALDH1A1KDM4EPOLBL3MBTL1LMNA
SCHEMBL2112745 0.72 IKBKB (0.56) ALDH1A1KDM4EMKNK1MKNK2NPY5R

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-20240076286-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-03-07 US disclosed
US-20240002363-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-01-04 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 ALDH1A1 1223/4885KDM4E 331/4885POLB 3776/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 ALDH1A1 1223/4885KDM4E 331/4885POLB 3776/4885
US-20240002363-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 ALDH1A1 1223/4885KDM4E 331/4885POLB 3776/4885
US-20240076286-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 ALDH1A1 1223/4885KDM4E 331/4885POLB 3776/4885

“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.