SCHEMBL6436256

SCHEMBL6436256

NCc1ccc2ccnc(N)c2c1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 12/20 0.74
PLAU P00749 2/20 0.50
F12 P00748 1/20 0.50
NCF1 P14598 1/20 0.50
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
BACE1 P56817 1/20 0.50
LOXL2 Q9Y4K0 5/20 0.44
LOX P28300 3/20 0.44
LOXL3 P58215 1/20 0.44
ROCK2 O75116 1/20 0.41
KCNH2 Q12809 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
Hydrochloric Acid SCHEMBL16246756 0.98 ROCK1 (0.72) ROCK1PLAUF12NCF1NOS3
SCHEMBL29481418 0.85 ROCK1 (1.00) ROCK1PLAUF12NCF1NOS3
SCHEMBL5735425 0.85 ROCK1 (1.00) ROCK1PLAUF12NCF1NOS3
Hydrochloric Acid SCHEMBL29481411 0.84 ROCK1 (0.96) ROCK1PLAUF12NCF1NOS3
SCHEMBL6982094 0.84 ROCK1 (0.53) ROCK1PLAUF12NCF1NOS3
SCHEMBL6983215 0.84 PLAU (0.60) ROCK1PLAUF12NCF1NOS3
Hydrochloric Acid SCHEMBL3759590 0.84 ROCK1 (0.96) ROCK1PLAUF12NCF1NOS3
Hydrochloric Acid SCHEMBL5731184 0.84 ROCK1 (0.96) ROCK1PLAUF12NCF1NOS3
Hydrochloric Acid SCHEMBL29508477 0.84 ROCK1 (0.96) ROCK1PLAUF12NCF1NOS3
SCHEMBL24358795 0.82 ROCK1 (0.51) ROCK1PLAUF12NCF1NOS3

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260062443-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMA INC (US) 2026-03-05 US disclosed
WO-2024044098-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-29 WO disclosed
US-20220298141-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-09-22 US disclosed
EP-4017849-A1 ENZYME INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-29 EP disclosed
CN-114286820-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2022-04-05 CN disclosed
EP-3305778-B1 INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-19 EP disclosed
WO-2021032934-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
WO-2021032934-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
CN-105452240-B Hete rocyclic derivatives 卡尔维斯塔制药有限公司 2018-06-26 CN disclosed
EP-3305778-A1 INHIBITORS OF PLASMA KALLIKREIN Kalvista Pharmaceuticals Limited (GB) 2018-04-11 EP disclosed
US-6797710-B2 CARDIOVASCULAR DISORDERS; SERINE PROTEASE INHIBITOR; ADMINISTERING BY MOUTH; BIOAVAILABILITY AKZO NOBEL N.V. (NL) 2004-09-28 US disclosed
US-6642253-B2 Thrombin inhibitors comprising an aminoisoquinoline group AKZO NOBEL N. V. (NL) 2003-11-04 US disclosed
CN-1441784-A Thrombin inhibitors comprising aminoisoquinoline group AKZO NOBEL NV (NL) 2003-09-10 CN disclosed
US-20030166579-A1 THROMBIN INHIBITORS COMPRISING AN AMINOISOQUINOLINE GROUP N.V. ORGANON (NL) 2003-09-04 US disclosed
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents MERCK SHARP & DOHME B.V. (NL) 2003-07-10 US disclosed
US-6444672-B1 ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR AKZO NOBEL N.V. (NL) 2002-09-03 US disclosed
US-6432955-B1 ANTICOAGULANTS AKZO NOBEL N.V. (NL) 2002-08-13 US disclosed
US-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 US disclosed
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 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 (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-20260062443-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS C9, SSB, C1S ROCK1 3348/4885PLAU 2528/4885F12 170/4885
US-20220298141-A1 ENZYME INHIBITORS SERPINB1, ACE, GAA ROCK1 1964/4885PLAU 304/4885F12 702/4885
US-20030166579-A1 THROMBIN INHIBITORS COMPRISING AN AMINOISOQUINOLINE GROUP F2, TFPI, SERPINC1 ROCK1 346/4885PLAU 88/4885F12 21/4885
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents F2, F12, VKORC1 ROCK1 1266/4885PLAU 171/4885F12 2/4885

“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.