SCHEMBL1404511

SCHEMBL1404511

Cn1cc(-c2cc[c]c(Cl)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
PI4KA P42356 1/20 0.41
PIK3CG P48736 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
FGFR3 P22607 1/20 0.41
KDR P35968 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
ACVR1 Q04771 1/20 0.40
BRD4 O60885 2/20 0.39
TTK P33981 2/20 0.39
KCNH2 Q12809 1/20 0.39
KDM1A O60341 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
DYRK1A Q13627 2/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
FLT3 P36888 2/20 0.38

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
SCHEMBL16044005 0.80 PIK3CA (0.41) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL28548161 0.80 PIK3CD (0.48) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL17959848 0.78 ERN1 (0.44) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL5584076 0.75 AHR (0.35)
SCHEMBL1032066 0.74 MKNK1 (0.44) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL17436998 0.71 KCNH2 (0.59) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL14947690 0.71 DYRK1A (0.46) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL17794670 0.71 KCNH2 (0.46) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL31107039 0.71 DYRK1A (0.46) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL15950986 0.71 KCNH2 (0.66) FGFR3KDRACVR1BRD4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1391476-A Vasopressin agonist formulation and process AMERICAN CYANAMID CO (US) 2003-01-15 CN claimed
EP-1216045-A2 VASOPRESSIN AGONIST FORMULATION AND PROCESS American Cynamid Company (US) 2002-06-26 EP claimed
WO-2001022969-A2 VASOPRESSIN AGONIST FORMULATION AND PROCESS AMERICAN CYNAMID COMPANY (US) 2001-04-05 WO claimed
EP-1000062-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-17 EP claimed
WO-1999006409-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 WO claimed
US-7999107-B2 Psychological disorders; cognition activators; Alzheimer's disease; headaches; nervous system antiinflammatory agents; antiepileptic agents; Parkinson's disease; Huntington's disease; schizophrenia; eating disorders MERCK SHARP & DOHME CORP. (US) 2011-08-16 US disclosed
EP-2109615-B1 SUBSTITUTED PYRANO [2, 3 - B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-03-09 EP disclosed
EP-2109615-A1 SUBSTITUTED PYRANO [2, 3 - B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-10-21 EP disclosed
US-20080207666-A1 Substituted pyrano[2,3-B]pyridine derivatives as cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. 2008-08-28 US disclosed
WO-2008094476-A1 SUBSTITUTED PYRANO [2, 3 - B] PYRIDINE DERIVATIVES AS CANNABINOID -1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-08-07 WO disclosed
US-6831079-B1 Oral delivery; nitrogen triheterocyclic active material, surfactant, polyethylene glycol with sucrose fatty acid esters and/or polyvinylpyrrolidone AMERICAN CYANAMID COMPANY 2004-12-14 US disclosed
EP-1000062-B1 TRICYCLIC VASOPRESSIN AGONISTS WYETH CORP (US) 2004-09-22 EP disclosed
EP-1216045-A2 VASOPRESSIN AGONIST FORMULATION AND PROCESS American Cynamid Company (US) 2002-06-26 EP disclosed
WO-2001022969-A2 VASOPRESSIN AGONIST FORMULATION AND PROCESS AMERICAN CYNAMID COMPANY (US) 2001-04-05 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 (1 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-20080207666-A1 Substituted pyrano[2,3-B]pyridine derivatives as cannabinoid-1 receptor modulators CNR1, CNR2, FAAH PIK3CA 1952/4885PIK3CD 2630/4885PIK3CB 2205/4885

“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.