SCHEMBL254058

SCHEMBL254058

Cn1cnc(=N)c2nc[nH]c21

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.53
PIK3C3 Q8NEB9 1/20 0.53
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
ACP1 P24666 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HSD17B10 Q99714 1/20 0.31
YTHDC1 Q96MU7 1/20 0.30

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
SCHEMBL21356428 0.77 PIK3CG (0.37) PIK3CGPIK3C3ALDH1A1MEN1KMT2A
SCHEMBL9686102 0.73 ALDH1A1 (0.38) PIK3CGPIK3C3ALDH1A1MEN1KMT2A
SCHEMBL1915 0.69 PIK3CG (0.44) PIK3CGPIK3C3ALDH1A1ADORA2AADORA1
SCHEMBL21356495 0.64 BRD4 (0.38) ALDH1A1ADORA2AADORA1KDM4E
SCHEMBL1992699 0.61 ALDH1A1 (0.43) PIK3CGPIK3C3ALDH1A1ADORA2AADORA1
SCHEMBL12332534 0.58 ADORA1 (0.48) PIK3CGPIK3C3ADORA2AADORA1YTHDC1
SCHEMBL22509881 0.55 F2RL1 (0.33) PIK3CGPIK3C3
SCHEMBL16470899 0.54 ADORA1 (0.47) PIK3CGPIK3C3ADORA2AADORA1KDM4E
SCHEMBL2414860 0.54 GDA (0.49) PIK3CGPIK3C3ALDH1A1ADORA2AADORA1
SCHEMBL4560085 0.54 GDA (0.53) ALDH1A1MEN1KMT2AADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9739767-B2 Method of screening for plant defense activators, plant defense activators, and method of enhancing immune response TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2017-08-22 US disclosed
US-9739767-B2 Method of screening for plant defense activators, plant defense activators, and method of enhancing immune response TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2017-08-22 US disclosed
US-20150141252-A1 Method of Screening for Plant Defense Activators, Plant Defense Activators, and Method of Enhancing Immune Response TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2015-05-21 US disclosed
US-20150141252-A1 Method of Screening for Plant Defense Activators, Plant Defense Activators, and Method of Enhancing Immune Response TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2015-05-21 US disclosed
WO-2014083327-A1 ADENINE DERIVATIVES SUITABLE FOR THE TREATMENT OF (INTER ALIA) MUSCULAR DYSTROPHY MD PHARMA AB (SE) 2014-06-05 WO disclosed
WO-2012029539-A1 METHOD OF SCREENING FOR PLANT DEFENSE ACTIVATORS, PLANT DEFENSE ACTIVATORS, AND METHOD OF ENHANCING IMMUNE RESPONSE TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2012-03-08 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-20150141252-A1 Method of Screening for Plant Defense Activators, Plant Defense Activators, and Method of Enhancing Immune Response NFATC1, TRAF6, STING1 PIK3CG 3416/4885PIK3C3 4030/4885ALDH1A1 4601/4885

“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.