SCHEMBL2544046

SCHEMBL2544046

CC(=O)c1cnn(-c2ccccc2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 1.00
NPC1 O15118 13/20 0.65
RAB9A P51151 13/20 0.65
SLC9A1 P19634 1/20 0.64
SLC9A2 Q9UBY0 1/20 0.64
PTGS2 P35354 2/20 0.62
PKM P14618 3/20 0.61
HPGD P15428 3/20 0.61
NAMPT P43490 1/20 0.60
NFKB1 P19838 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAPT P10636 2/20 0.59
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL27405 0.88 MAPK1 (0.78) MAPK1NPC1RAB9ASLC9A1SLC9A2
SCHEMBL7239726 0.85 MAPK1 (0.73) MAPK1NPC1RAB9ASLC9A1SLC9A2
SCHEMBL3517559 0.85 MAPK1 (0.73) MAPK1NPC1RAB9ASLC9A1SLC9A2
SCHEMBL2926133 0.85 MAPK1 (0.73) MAPK1NPC1RAB9ASLC9A1SLC9A2
SCHEMBL4674158 0.84 MAPK1 (0.71) MAPK1NPC1RAB9ASLC9A1SLC9A2
SCHEMBL3515903 0.83 MAPK1 (0.71) MAPK1NPC1RAB9ASLC9A1SLC9A2
SCHEMBL13505326 0.83 MAPK1 (0.71) MAPK1NPC1RAB9ASLC9A1SLC9A2
SCHEMBL6224549 0.83 MAPK1 (0.71) MAPK1NPC1RAB9ASLC9A1SLC9A2
SCHEMBL13832785 0.83 MAPK1 (0.71) MAPK1NPC1RAB9APTGS2HPGD
SCHEMBL6345488 0.83 MAPK1 (0.70) MAPK1NPC1RAB9APTGS2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4552639-A1 COMPOUNDS FOR USE IN THE TREATMENT OF GASTROINTESTINAL STROMAL TUMOR (GIST) Universität Duisburg-Essen (DE) 2025-05-14 EP disclosed
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-20 US disclosed
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-14 US disclosed
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-06-07 US disclosed
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 US disclosed
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 US disclosed
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-10 US disclosed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US disclosed
US-6552018-B1 As antitumor agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-22 US disclosed
US-20020111353-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2002-08-15 US disclosed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US disclosed
US-6169086-B1 AN ANTITUMOR AGENT FOR TREATING TUMOR RESISTANT TO 5-FLUOROURACIL TYPE DRUGS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
EP-1022270-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-07-26 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO disclosed
US-4316815-A OPTICAL BRIGHTENERS FOR POLYAMIDES, CELLULOSICS SANDOZ LTD. (CH) 1982-02-23 US 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 (7 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-20020111353-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases MAPK1, MAPK3, MAPKAPK3 MAPK1 1/4885NPC1 1942/4885RAB9A 997/4885
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 MAPK1 163/4885NPC1 4131/4885RAB9A 1244/4885
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 MAPK1 143/4885NPC1 4255/4885RAB9A 1267/4885
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors MYLK, MYLK2, ROCK1 MAPK1 143/4885NPC1 4255/4885RAB9A 1267/4885
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 MAPK1 116/4885NPC1 2709/4885RAB9A 564/4885
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 MAPK1 116/4885NPC1 2709/4885RAB9A 564/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 MAPK1 3198/4885NPC1 1972/4885RAB9A 2715/4885

“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.