SCHEMBL12788862

SCHEMBL12788862

CC(C)c1ccnc(Oc2ccc(CCNc3ncnc4nccnc34)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.39
▸ HTT P42858 8/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ MAPT P10636 4/20 0.35
▸ TSHR P16473 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ AURKA O14965 2/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CCNB2 O95067 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAP2K7 O14733 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 3/20 0.33

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
SCHEMBL12811487 0.92 TP53 (0.38) TP53HTTSMN1; SMN2MAPTTSHR
SCHEMBL12788267 0.92 TP53 (0.37) TP53HTTSMN1; SMN2MAPTTSHR
SCHEMBL1437428 0.87 TP53 (0.43) TP53HTTSMN1; SMN2MAPTTSHR
SCHEMBL12788021 0.87 TP53 (0.41) TP53HTTSMN1; SMN2MAPTTSHR
SCHEMBL12811543 0.87 TP53 (0.41) TP53HTTSMN1; SMN2MAPTTSHR
SCHEMBL12788866 0.86 MAPT (0.48) HTTSMN1; SMN2MAPTTSHRHSD17B10
SCHEMBL12788250 0.86 TP53 (0.47) TP53HTTSMN1; SMN2MAPTTSHR
SCHEMBL12788872 0.85 SMN1; SMN2 (0.40) TP53HTTSMN1; SMN2MAPTTSHR
SCHEMBL1437346 0.85 TP53 (0.39) TP53HTTSMN1; SMN2MAPTTSHR
SCHEMBL6525751 0.84 TP53 (0.39) TP53HTTSMN1; SMN2MAPTTSHR

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 TP53 3757/4885HTT 2437/4885SMN1; SMN2 4036/4885
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS PIR, PFAS, PNPO TP53 1287/4885HTT 1265/4885SMN1; SMN2 2818/4885

“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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