SCHEMBL6436253

SCHEMBL6436253

NC(=O)c1ccc2ccnc(N)c2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.54
HIPK2 Q9H2X6 1/20 0.54
PLAU P00749 2/20 0.51
F10 P00742 7/20 0.49
F12 P00748 1/20 0.47
NCF1 P14598 1/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
BACE1 P56817 1/20 0.47
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
KDM4B O94953 1/20 0.45
KDM5C P41229 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
LCK P06239 1/20 0.44
ROCK1 Q13464 3/20 0.42
NNMT P40261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5735418 0.86 CSNK2A1 (0.61) CSNK2A1HIPK2PLAUF12NCF1
SCHEMBL6978513 0.86 PLAU (0.63) CSNK2A1HIPK2PLAUF10F12
Hydrochloric Acid SCHEMBL16246816 0.85 CSNK2A1 (0.59) CSNK2A1HIPK2PLAUF12NCF1
Trifluoroacetic Acid SCHEMBL6978086 0.79 PLAU (0.55) CSNK2A1PLAUF10F12NCF1
SCHEMBL18553875 0.78 PLAU (0.47) CSNK2A1HIPK2PLAUMKNK1MKNK2
SCHEMBL6982791 0.77 LMNA (0.50) SMN1; SMN2
Benzamide SCHEMBL19877173 0.77 PLAU (0.68) CSNK2A1HIPK2PLAUF12NCF1
Hydrochloric Acid SCHEMBL6974947 0.76 LMNA (0.49) SMN1; SMN2
SCHEMBL8141857 0.76 PIK3CB (0.43) CSNK2A1HIPK2PLAUF10F12
SCHEMBL6978093 0.75 F10 (0.40) CSNK2A1PLAUF10F12NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3305778-B1 INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-19 EP 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
EP-2999697-B1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LTD (GB) 2017-04-19 EP disclosed
US-9533987-B2 Heterocyclic derivates KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-01-03 US disclosed
US-20160108036-A1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-04-21 US disclosed
EP-2999697-A1 HETEROCYCLIC DERIVATES Kalvista Pharmaceuticals Limited (GB) 2016-03-30 EP disclosed
WO-2014188211-A1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LIMITED (GB) 2014-11-27 WO disclosed
EP-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 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-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 (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-20160108036-A1 HETEROCYCLIC DERIVATES BDKRB1, KLKB1, BDKRB2 CSNK2A1 1147/4885HIPK2 3678/4885PLAU 28/4885
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents F2, F12, VKORC1 CSNK2A1 1468/4885HIPK2 3346/4885PLAU 171/4885

“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.