SCHEMBL12788003

SCHEMBL12788003

COc1cc(CCNc2ncnc3nccnc23)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ MAPT P10636 5/20 0.54
▸ HTT P42858 4/20 0.54
▸ TSHR P16473 4/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ MAPK1 P28482 4/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ STAT3 P40763 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ LMNA P02545 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ APP P05067 1/20 0.50
▸ TDP2 O95551 1/20 0.48
▸ NSD2 O96028 1/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ NR2F2 P24468 3/20 0.48
▸ GALR3 O60755 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ RECQL P46063 1/20 0.48

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
SCHEMBL12788911 0.91 MAPT (0.44) SMN1; SMN2MAPTHTTTSHRHSD17B10
SCHEMBL12788763 0.88 MAPT (0.47) SMN1; SMN2MAPTHTTTSHRHSD17B10
SCHEMBL12788920 0.87 MAPT (0.57) SMN1; SMN2MAPTHTTTSHRHSD17B10
SCHEMBL12788727 0.86 HTT (0.40) SMN1; SMN2MAPTHTTTSHRHSD17B10
SCHEMBL12788887 0.85 MAPT (0.53) SMN1; SMN2MAPTHTTTSHRHSD17B10
SCHEMBL12788731 0.85 MAPT (0.53) SMN1; SMN2MAPTHTTTSHRHSD17B10
SCHEMBL12788608 0.85 MAPT (0.53) SMN1; SMN2MAPTHTTTSHRHSD17B10
SCHEMBL12788972 0.83 RAB9A (0.43) SMN1; SMN2MAPTHTTTSHRHSD17B10
SCHEMBL12788891 0.83 HTT (0.44) SMN1; SMN2MAPTHTTTSHRHSD17B10
SCHEMBL12788740 0.83 HTT (0.43) SMN1; SMN2MAPTHTTTSHRHSD17B10

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 SMN1; SMN2 4036/4885MAPT 4788/4885HTT 2437/4885
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS PIR, PFAS, PNPO SMN1; SMN2 2818/4885MAPT 3907/4885HTT 1265/4885

“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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