SCHEMBL12788071

SCHEMBL12788071

COc1cc(CCNc2ncnc3nccnc23)ccc1Oc1cc(C#N)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ MAPT P10636 8/20 0.48
▸ SMN1; SMN2 Q16637 7/20 0.48
▸ TSHR P16473 6/20 0.48
▸ HTT P42858 5/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ MAPK1 P28482 6/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ STAT3 P40763 1/20 0.46
▸ LMNA P02545 4/20 0.46
▸ POLB P06746 2/20 0.46
▸ APP P05067 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ RECQL P46063 1/20 0.44
▸ NR2F2 P24468 3/20 0.43
▸ GALR3 O60755 2/20 0.43
▸ GAA P10253 1/20 0.42
▸ TP53 P04637 2/20 0.39

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
SCHEMBL12788590 0.91 CCNC (0.39) NPC1RAB9AMAPTSMN1; SMN2TSHR
SCHEMBL12788045 0.89 NPC1 (0.48) NPC1RAB9AMAPTSMN1; SMN2TSHR
SCHEMBL12811751 0.87 MAPT (0.51) NPC1RAB9AMAPTSMN1; SMN2TSHR
SCHEMBL12787866 0.85 CCNC (0.43) TP53CCNCCDK8
SCHEMBL12788866 0.85 MAPT (0.48) NPC1RAB9AMAPTSMN1; SMN2TSHR
SCHEMBL12788054 0.84 MAPT (0.48) NPC1RAB9AMAPTSMN1; SMN2TSHR
SCHEMBL1437220 0.83 MAPT (0.47) NPC1RAB9AMAPTSMN1; SMN2TSHR
SCHEMBL12811335 0.80 MAPT (0.52) NPC1RAB9AMAPTSMN1; SMN2TSHR
SCHEMBL12788920 0.78 MAPT (0.57) NPC1RAB9AMAPTSMN1; SMN2TSHR
SCHEMBL12788042 0.78 MAPT (0.47) NPC1RAB9AMAPTSMN1; SMN2TSHR

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 8 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

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 NPC1 3600/4885RAB9A 3427/4885MAPT 4788/4885
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS PIR, PFAS, PNPO NPC1 3294/4885RAB9A 946/4885MAPT 3907/4885

“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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