SCHEMBL6787340

SCHEMBL6787340

C1=CNc2ncccc2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
CYP1A2 P05177 2/20 0.41
GSK3B P49841 1/20 0.39
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 1/20 0.33
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MMP2 P08253 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MMP8 P22894 1/20 0.32
CCR1 P32246 1/20 0.32

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
SCHEMBL31746097 1.00 SMN1; SMN2 (0.41) SMN1; SMN2CYP1A2GSK3BMAPTKDM4E
SCHEMBL15230088 0.81
SCHEMBL309801 0.74 GSK3B (0.46) SMN1; SMN2CYP1A2GSK3BMAPTKDM4E
SCHEMBL7476995 0.72 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2GSK3BMAPTKDM4E
SCHEMBL7102226 0.72
SCHEMBL902842 0.71 SMN1; SMN2 (0.38) SMN1; SMN2CYP1A2GSK3BMAPTKDM4E
SCHEMBL8103221 0.70 GSK3B (0.50) SMN1; SMN2CYP1A2GSK3BMAPTKDM4E
SCHEMBL458916 0.67
SCHEMBL15326919 0.67 GSK3B (0.47) SMN1; SMN2CYP1A2GSK3BMAPTKDM4E
SCHEMBL7543032 0.67 SMN1; SMN2 (0.41) SMN1; SMN2CYP1A2GSK3BMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828316-B2 Antiallergens KOWA CO., LTD. (JP) 2004-12-07 US disclosed
US-20020042414-A1 Diamide compound and medicine containing the same KOWA CO., LTD. (JP) 2002-04-11 US disclosed
US-6340682-B1 FOR THERAPY OF ALLERGIC IMMUNOLOGICAL DISEASE IS SELECTED FROM ASTHMA, ALLERGIC RHINITIS, INFLAMMATORY LARGE BOWEL DISEASE OR CONTACT DERMATITIS KOWA CO., LTD. (JP) 2002-01-22 US disclosed
EP-0926138-A1 DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-06-30 EP 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-20020042414-A1 Diamide compound and medicine containing the same HRH4, HRH2, HRH1 SMN1; SMN2 4780/4885CYP1A2 269/4885GSK3B 3581/4885

“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.