SCHEMBL5772636

SCHEMBL5772636

CC(C)C1=NCCc2cc(Br)ccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 5/20 0.44
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
SRD5A1 P18405 2/20 0.38
SRD5A2 P31213 1/20 0.38
CYP19A1 P11511 6/20 0.38
CYP11B1 P15538 6/20 0.38
CYP11B2 P19099 6/20 0.38
PLG P00747 3/20 0.37
PLAT P00750 3/20 0.37
KLK1 P06870 2/20 0.37
MAPK10 P53779 2/20 0.36
MAPK14 Q16539 1/20 0.36
F2 P00734 1/20 0.36
KLKB1 P03952 1/20 0.36
PRSS1 P07477 1/20 0.36
CES2 O00748 2/20 0.35
TYMS P04818 1/20 0.34
METAP1 P53582 1/20 0.33

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
SCHEMBL5778545 0.87 PLAU (0.44) PLAUPARP10PLGPLATKLK1
SCHEMBL31173460 0.78 KDM4E (0.41) PARP10PARP11SRD5A1SRD5A2CYP19A1
SCHEMBL1010625 0.77 MAOA (0.50) PARP10PARP11SRD5A1SRD5A2CYP19A1
SCHEMBL31219986 0.77 CYP19A1 (0.41) PARP10PARP11SRD5A1SRD5A2CYP19A1
SCHEMBL5776013 0.76 PLAU (0.42) PLAUPLGPLATKLK1F2
SCHEMBL31158765 0.75 NOS3 (0.53) PLAUPLGPLATKLK1F2
SCHEMBL5778286 0.75 NOS3 (0.53) PLAUPLGPLATKLK1F2
SCHEMBL581700 0.74 SRD5A1 (0.45) PARP10PARP11SRD5A1SRD5A2CYP19A1
SCHEMBL19794689 0.73 CYP19A1 (0.41) PARP10PARP11SRD5A1SRD5A2CYP19A1
SCHEMBL2616887 0.73 MAPK10 (0.47) PARP10PARP11MAPK10MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108463458-B Modulators of ROR-gamma 生命医药有限责任公司 2022-02-01 CN disclosed
US-11008340-B2 Modulators of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2021-05-18 US disclosed
EP-3377482-B1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS LLC (US) 2021-05-12 EP disclosed
US-20190322687-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC (US) 2019-10-24 US disclosed
EP-1276722-B1 NAPHTHAMIDINE UROKINASE INHIBITORS ABBOTT LAB (US) 2006-03-08 EP disclosed
EP-1276722-A1 NAPHTHAMIDINE UROKINASE INHIBITORS Abbott Laboratories (US) 2003-01-22 EP disclosed
US-6504031-B1 Enzyme inhibitor such as 6-(2-(1-isopropyl-1,2,3,4-tetrahydro -7-isoquinolinyl)ethenyl)-2-naphthalenecarboximidamide, used as angiogenesis inhibitors; antiarthritic, antiinflammatory and antitumor agents ABBOTT LABORATORIES 2003-01-07 US disclosed
US-6495562-B1 SUCH AS 6-(2-(4,4-DIETHYL-1-ISOPROPYL-3,4-DIHYDRO-6-ISOQUINOLINYL)CYCLOPROPYL)-2 -NAPHTHALENECARBOXIMIDAMIDE ABBOTT LABORATORIES 2002-12-17 US disclosed
WO-2001081314-A1 NAPHTHAMIDINE UROKINASE INHIBITORS ABBOTT LABORATORIES (US) 2001-11-01 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-11008340-B2 Modulators of ROR-gamma RORC, RORB, RORA PLAU 4752/4885PARP10 4548/4885PARP11 4550/4885
US-20190322687-A1 MODULATORS OF ROR-GAMMA RORC, RORB, RORA PLAU 4752/4885PARP10 4548/4885PARP11 4550/4885

“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.