SCHEMBL23754172

SCHEMBL23754172

O=Cc1ccc(N2CC3C(C2)C3(F)F)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PRKDC P78527 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.33
IP6K1 Q92551 1/20 0.31
IP6K3 Q96PC2 1/20 0.31
PTGS2 P35354 1/20 0.30

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
SCHEMBL23754048 0.84 NPC1 (0.36) NPC1RAB9APRKDCPIK3CDPIK3CA
SCHEMBL23753991 0.82 NPC1 (0.55) NPC1RAB9APRKDCPIK3CDPIK3CA
SCHEMBL23753987 0.80 IP6K1 (0.38) NPC1RAB9APRKDCPIK3CDPIK3CA
SCHEMBL23769213 0.75 TRIM24 (0.33)
SCHEMBL24319781 0.74 ALDH1A1 (0.43) NPC1RAB9APRKDCPIK3CDPIK3CA
SCHEMBL23754192 0.73 KLKB1 (0.32)
SCHEMBL23754176 0.73 KLKB1 (0.30)
SCHEMBL1646796 0.73 ALDH1A1 (0.58) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL23769159 0.72 KCNJ1 (0.43) RAB9A
SCHEMBL15475184 0.71 ALDH1A1 (0.56) NPC1RAB9APRKDCPIK3CDPIK3CA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479827-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-11-25 US disclosed
CN-116120287-B Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2025-01-28 CN disclosed
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-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
CN-116120287-A Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2023-05-16 CN disclosed
EP-4103562-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS Boehringer Ingelheim International GmbH (DE) 2022-12-21 EP disclosed
CN-115052873-A Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors 勃林格殷格翰国际有限公司 2022-09-13 CN 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 (5 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-12479827-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 NPC1 2426/4885RAB9A 3930/4885PRKDC 701/4885
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 NPC1 2426/4885RAB9A 3930/4885PRKDC 701/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 NPC1 2426/4885RAB9A 3930/4885PRKDC 701/4885
US-20240002363-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 NPC1 2426/4885RAB9A 3930/4885PRKDC 701/4885
US-20240076286-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 NPC1 2426/4885RAB9A 3930/4885PRKDC 701/4885

“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.