SCHEMBL1834564

SCHEMBL1834564

COc1ccc2ccnc(N)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.59
NOS3 P29474 2/20 0.52
NOS1 P29475 2/20 0.52
NOS2 P35228 2/20 0.52
ROCK1 Q13464 2/20 0.49
F12 P00748 2/20 0.48
NCF1 P14598 2/20 0.48
BACE1 P56817 1/20 0.48
FYN P06241 1/20 0.47
MAP3K14 Q99558 1/20 0.46
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
TYMS P04818 1/20 0.46
KDM4E B2RXH2 1/20 0.45
DYRK1A Q13627 2/20 0.45
RAB9A P51151 1/20 0.45
MAP4K4 O95819 1/20 0.43
LMNA P02545 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL1205043 0.86 ROCK1 (0.59) PLAUNOS3NOS1NOS2ROCK1
SCHEMBL14404768 0.83 TYMS (0.50) PLAUNOS3NOS1NOS2ROCK1
SCHEMBL17963912 0.82 PLAU (0.49) PLAUNOS3NOS1NOS2ROCK1
SCHEMBL14381015 0.81 F12 (0.44) PLAUNOS3NOS1NOS2ROCK1
SCHEMBL31521713 0.80 PLAU (0.56) PLAUNOS3NOS1NOS2ROCK1
SCHEMBL129972 0.80 PLAU (0.56) PLAUNOS3NOS1NOS2ROCK1
SCHEMBL1526883 0.79 PLAU (0.55) PLAUNOS3NOS1NOS2CCR1
SCHEMBL21951884 0.79 PLAU (0.55) PLAUNOS3NOS1NOS2MAP3K14
SCHEMBL29923293 0.79 PLAU (0.55) PLAUNOS3NOS1NOS2CCR1
SCHEMBL12055259 0.79 PLAU (0.59) PLAUNOS3NOS1NOS2CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10179124-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-01-15 US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 US disclosed
US-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 US disclosed
US-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 US disclosed
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2016-11-03 US disclosed
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2016-11-03 US disclosed
EP-2321313-B1 SUBSTITUTED PYRIMIDO[2,1-A]ISOQUINOLIN-4-ONE DERIVATIVES AS GSK3 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2015-09-02 EP disclosed
US-9108922-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-9108922-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-18 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
CN-1064360-C Fused imidazo [1, 2-a ] pyridines SHINIPPON PHARMACEUTICAL INC (JP) 2001-04-11 CN disclosed
US-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 US disclosed
US-6103736-A SHOWING AN INHIBITORY ACTION ON GASTRIC ACID SECRETION AND A PROTECTIVE ACTION OF GASTRIC MUCOSA; 2-(HETERO)ARYL-3-AMINOIMIDAZO-(2,1-A)ISOQUINOLINES; ANTIULCER AGENTS; SHINNIPPON PHARMACEUTICAL INC. (JP) 2000-08-15 US disclosed
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 EP disclosed
US-6020342-A Fused imidazo[1,2-A]pyridines SHINNIPPON PHARMACEUTICAL, INC. (JP) 2000-02-01 US disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 WO disclosed
CN-1182428-A Fused imidazo [1, 2-alpha ] pyridines SHINNIPPON PHARMACEUTICAL INC (JP) 1998-05-20 CN disclosed
EP-0822194-A1 FUSED IMIDAZO 1,2-a]PYRIDINES Shinnippon Pharmaceutical Inc. (JP) 1998-02-04 EP 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 (3 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-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 PLAU 73/4885NOS3 3372/4885NOS1 3528/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 PLAU 73/4885NOS3 3372/4885NOS1 3528/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 PLAU 73/4885NOS3 3372/4885NOS1 3528/4885

“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.