SCHEMBL6526089

SCHEMBL6526089

CN(C)C=Nc1nccnc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 10/20 0.40
KDM4E B2RXH2 7/20 0.40
LMNA P02545 5/20 0.40
HSD17B10 Q99714 4/20 0.40
HTT P42858 3/20 0.40
ALOX15 P16050 3/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 5/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL12787736 1.00 GAA (0.41) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL6526087 1.00 GAA (0.41) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL16342177 0.82 ALOX15 (0.36) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL12788136 0.77 ALDH1A1 (0.42) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL12788006 0.77 ALDH1A1 (0.42) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL12466525 0.76 GAA (0.43) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL12466526 0.76 GAA (0.43) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL6375896 0.76 ALDH1A1 (0.41) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL6374781 0.76 ALDH1A1 (0.41) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL810255 0.75 GAA (0.45) GAAMAPTALDH1A1KDM4ELMNA

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-8895568-B2 Compositions comprising substituted pteridines as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-11-25 US disclosed
US-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2013-09-26 US disclosed
US-8461164-B2 Pteridines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2013-06-11 US disclosed
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 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 (2 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-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS CBR3, CBR1, AKR1C4 GAA 3404/4885MAPT 4788/4885ALDH1A1 72/4885
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS PIR, PFAS, PNPO GAA 2332/4885MAPT 3907/4885ALDH1A1 580/4885

“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.