SCHEMBL3672396

SCHEMBL3672396

c1ccc2c(c1)Oc1cccc3cncc-2c13

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.67
ATM Q13315 2/20 0.67
KDM4E B2RXH2 2/20 0.67
TYMS P04818 2/20 0.47
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 3/20 0.34
TSHR P16473 3/20 0.34
HSD17B10 Q99714 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PRKCZ Q05513 1/20 0.34
STK17B O94768 1/20 0.32
TNF P01375 1/20 0.32
HPGD P15428 2/20 0.32
CASP1 P29466 2/20 0.32
HIF1A Q16665 2/20 0.32
TP53 P04637 1/20 0.31
CASP7 P55210 1/20 0.31
CYP17A1 P05093 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL19665992 0.81 KDM4E (0.44) MAPK1ATMKDM4ETYMSCYP1A2
SCHEMBL29907833 0.81 MAPK1 (1.00) MAPK1ATMKDM4ETYMSCYP1A2
SCHEMBL13309034 0.81 MAPK1 (1.00) MAPK1ATMKDM4ETYMSCYP1A2
SCHEMBL24254039 0.79 MAPK1 (0.96) MAPK1ATMKDM4ETYMSCYP1A2
SCHEMBL19678360 0.78 KDM4E (0.41) MAPK1ATMKDM4ETYMSCYP1A2
SCHEMBL19678384 0.77 KDM4E (0.40) MAPK1ATMKDM4ETYMSCYP1A2
SCHEMBL19665998 0.77 KDM4E (0.40) MAPK1ATMKDM4ETYMSCYP1A2
SCHEMBL11213974 0.77 ALDH1A1 (0.61) MAPK1ATMKDM4ETYMSCYP1A2
SCHEMBL19678377 0.76 KDM4E (0.39) MAPK1ATMKDM4ECYP1A2CYP2D6
SCHEMBL19678351 0.76 KDM4E (0.42) MAPK1ATMKDM4ETYMSCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022204150-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS BLUE OAK PHARMACEUTICALS, INC. (US) 2022-09-29 WO disclosed
US-20100041690-A1 Co-Administration of Dopamine-Receptor Binding Compounds DARPHARMA, INC. 2010-02-18 US disclosed
US-20070254906-A1 Method of Administration of Dopamine Receptor Agonists DARPHARMA, INC. (US) 2007-11-01 US disclosed
US-20070155720-A1 Co-administration of dopamine-receptor binding compounds DARPHARMA, INC. (US) 2007-07-05 US disclosed
EP-1699450-A2 CO-ADMINISTRATION OF DOPAMINE-RECEPTOR BINDING COMPOUNDS Darpharma, INC. (US) 2006-09-13 EP disclosed
WO-2005062894-A2 CO-ADMINISTRATION OF DOPAMINE-RECEPTOR BINDING COMPOUNDS DARPHARMA, INC. (US) 2005-07-14 WO disclosed
US-6916832-B2 Chromeno[4,3,2-de]isoquinolines as potent dopamine receptor ligands UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-07-12 US disclosed
US-6413977-B1 D1 AGONISTS; CENTRAL AND PERIPHERAL NERVOUS SYSTEM DYSFUNCTIONS; IMPROVING COGNITION AND MEMORY; PARKINSON'S DISEASE, SCHIZOPHRENIA, ATTENTION-DEFICIT HYPERACTIVITY, SUBSTANCE ABUSE, PHYSIOLOGICAL FUNCTION PURDUE RESEARCH FOUNDATION 2002-07-02 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 (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-20100041690-A1 Co-Administration of Dopamine-Receptor Binding Compounds DRD2, DRD1, DRD3 MAPK1 4026/4885ATM 4336/4885KDM4E 4742/4885
US-20070254906-A1 Method of Administration of Dopamine Receptor Agonists ADRA1D, DRD2, CHRM3 MAPK1 3346/4885ATM 3252/4885KDM4E 4653/4885
US-20070155720-A1 Co-administration of dopamine-receptor binding compounds DRD2, DRD1, DRD3 MAPK1 4013/4885ATM 4325/4885KDM4E 4741/4885

“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.