SCHEMBL23830227

SCHEMBL23830227

Cc1ncccc1C(C)C(=O)NN

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.53
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSD P07339 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 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
SCHEMBL25512311 0.80 MMP2 (0.43) P2RX7MKNK1MKNK2POLB
SCHEMBL27667474 0.79 P2RX7 (0.42) P2RX7MAPK1SMN1; SMN2ALDH1A1
SCHEMBL30838564 0.75 P2RX7 (0.45) P2RX7POLBMAPK1SMN1; SMN2CTSD
SCHEMBL27876362 0.74 SMN1; SMN2 (0.44) P2RX7MAPK1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL21378793 0.73 CYP1A2 (0.55) P2RX7POLBSMN1; SMN2CTSDALDH1A1
SCHEMBL21378747 0.73 CYP1A2 (0.55) P2RX7POLBSMN1; SMN2CTSDALDH1A1
SCHEMBL15745601 0.73 CYP1A2 (0.55) P2RX7POLBSMN1; SMN2CTSDALDH1A1
SCHEMBL18522964 0.73 P2RX7 (0.46) P2RX7MKNK1MKNK2KDM4EGAA
SCHEMBL6520128 0.72 MET (0.45) POLBHTT
SCHEMBL30838570 0.71 ALDH1A1 (0.55) SMN1; SMN2CTSDALDH1A1GAA

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 P2RX7 2897/4885MKNK1 1838/4885MKNK2 1734/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 P2RX7 2897/4885MKNK1 1838/4885MKNK2 1734/4885
US-20240002363-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 P2RX7 2897/4885MKNK1 1838/4885MKNK2 1734/4885
US-20240076286-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 P2RX7 2897/4885MKNK1 1838/4885MKNK2 1734/4885

“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.