SCHEMBL12788928

SCHEMBL12788928

COc1ccc(CCNc2ncnc3nccnc23)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 10/20 0.43
▸ CYP3A4 P08684 10/20 0.43
▸ CYP2D6 P10635 10/20 0.43
▸ CYP2C19 P33261 10/20 0.43
▸ CLK4 Q9HAZ1 10/20 0.43
▸ USP2 O75604 9/20 0.43
▸ CYP2C9 P11712 8/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ MAPK1 P28482 5/20 0.43
▸ HIF1A Q16665 5/20 0.43
▸ TSHR P16473 5/20 0.43
▸ MAPT P10636 4/20 0.42
▸ TP53 P04637 3/20 0.42
▸ LMNA P02545 6/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ ALOX15 P16050 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL12788091 0.89 THRB (0.43) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL12788932 0.83 PDE10A (0.41) CYP3A4ALDH1A1MAPK1TSHRMAPT
SCHEMBL12788566 0.83 MAPT (0.43) ALDH1A1MAPK1TSHRMAPTTP53
SCHEMBL12788030 0.83 TP53 (0.60) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL12788958 0.81 MAPT (0.44) MAPK1TSHRMAPTTP53LMNA
SCHEMBL2178061 0.81 TP53 (0.40) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL12788424 0.80 NPC1 (0.36) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL12788920 0.79 MAPT (0.57) USP2MAPK1TSHRMAPTTP53
SCHEMBL12340527 0.78 THRB (0.46) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL12788250 0.78 TP53 (0.47) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9

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 9 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-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-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-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
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 — — US disclosed
WO-2011025505-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 — — 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 (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 CYP1A2 97/4885CYP3A4 236/4885CYP2D6 255/4885
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS PIR, PFAS, PNPO CYP1A2 118/4885CYP3A4 130/4885CYP2D6 407/4885

“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.

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