SCHEMBL23769367

SCHEMBL23769367

CCc1nc(N2CC3C(C2)C3(F)F)ccc1Cc1ccc(C(=O)O)o1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
KLKB1 P03952 8/20 0.33
HTT P42858 2/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 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
SCHEMBL23843138 0.89 HTT (0.44) NPC1RAB9ATDP1KLKB1HTT
SCHEMBL23769364 0.88 KLKB1 (0.41) TDP1KLKB1HTTPKMPOLB
SCHEMBL23769266 0.83 TRPA1 (0.33) KLKB1
SCHEMBL23769677 0.82 KLKB1 (0.36) KLKB1
SCHEMBL23769176 0.80 PTGER2 (0.35) KMT2AKLKB1HTTPTGER3PTGER2
SCHEMBL23769423 0.77 HTT (0.46) NPC1RAB9AKMT2ATDP1KLKB1
SCHEMBL23769430 0.77 HTT (0.46) NPC1RAB9AKMT2ATDP1HTT
SCHEMBL23768860 0.77 KLKB1 (0.34) KLKB1
SCHEMBL23769540 0.74 KLKB1 (0.34) KLKB1
SCHEMBL23769361 0.74 KLKB1 (0.54) KLKB1HTTPKM

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 NPC1 2426/4885RAB9A 3930/4885KMT2A 227/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 NPC1 2426/4885RAB9A 3930/4885KMT2A 227/4885

“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.