SCHEMBL6745596

SCHEMBL6745596

c1ccc2c(c1)Nc1nccnc1N2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
GAA P10253 3/20 0.55
MAPT P10636 3/20 0.55
CYP1A2 P05177 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HPGD P15428 1/20 0.55
NOX1 Q9Y5S8 1/20 0.54
GSK3B P49841 5/20 0.44
GSK3A P49840 4/20 0.44
CDK5 Q00535 4/20 0.44
CDK2 P24941 4/20 0.44
PLK4 O00444 3/20 0.44
AURKA O14965 3/20 0.44
CHEK2 O96017 3/20 0.44
CSNK1D P48730 3/20 0.44
AURKB Q96GD4 3/20 0.44
LCK P06239 2/20 0.44
MAPK8 P45983 2/20 0.44
STK3 Q13188 2/20 0.44
BLK P51451 1/20 0.44

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
SCHEMBL7476995 0.78 SMN1; SMN2 (0.55) SMN1; SMN2GAAMAPTCYP1A2KDM4E
SCHEMBL7102226 0.78
SCHEMBL8613496 0.75 SMN1; SMN2 (0.34) SMN1; SMN2GAAMAPTCYP1A2KDM4E
SCHEMBL8790147 0.73 SMN1; SMN2 (0.64) SMN1; SMN2GAAMAPTCYP1A2KDM4E
SCHEMBL2575044 0.73 MAPT (1.00) SMN1; SMN2GAAMAPTCYP1A2KDM4E
SCHEMBL5937366 0.73 CYP1A2 (1.00) SMN1; SMN2GAAMAPTCYP1A2GSK3B
SCHEMBL4162589 0.73 CYP1A2 (0.50) SMN1; SMN2GAACYP1A2
SCHEMBL9833524 0.73 DHODH (0.57) SMN1; SMN2GAAMAPTCYP1A2KDM4E
SCHEMBL23697571 0.71 NPC1 (0.47) SMN1; SMN2GAAMAPTCYP1A2KDM4E
SCHEMBL624418 0.71 GAA (0.59) SMN1; SMN2GAAMAPTCYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 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 (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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 SMN1; SMN2 4491/4885GAA 2552/4885MAPT 1257/4885

“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.