SCHEMBL1437346

SCHEMBL1437346

Ic1ccnc(Oc2ccc(CCNc3ncnc4nccnc34)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.39
▸ HTT P42858 9/20 0.35
▸ LMNA P02545 3/20 0.35
▸ TSHR P16473 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPK1 P28482 4/20 0.34
▸ APP P05067 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ AURKA O14965 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAP2K7 O14733 1/20 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
SCHEMBL12788140 0.89 TP53 (0.43) TP53HTTLMNATSHRSMN1; SMN2
SCHEMBL12811543 0.87 TP53 (0.41) TP53HTTLMNATSHRSMN1; SMN2
SCHEMBL12788021 0.87 TP53 (0.41) TP53HTTLMNATSHRSMN1; SMN2
SCHEMBL12788250 0.86 TP53 (0.47) TP53HTTLMNATSHRSMN1; SMN2
SCHEMBL12788267 0.85 TP53 (0.37) TP53HTTLMNATSHRSMN1; SMN2
SCHEMBL12787866 0.85 CCNC (0.43) TP53AURKARPS6KB1CCNCCDK8
SCHEMBL1437072 0.85 NPC1 (0.40) TP53HTTAURKACCNCCDK8
SCHEMBL6525751 0.85 TP53 (0.39) TP53HTTLMNATSHRSMN1; SMN2
SCHEMBL12788862 0.85 TP53 (0.39) TP53HTTLMNATSHRSMN1; SMN2
SCHEMBL12811758 0.84 LOXL2 (0.43) TP53AURKARPS6KB1KDM4EMAP2K7

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 15 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-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-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-8461164-B2 Pteridines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2013-06-11 — — US disclosed
EP-2473511-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS Dow AgroSciences LLC (US) 2012-07-11 — — EP 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
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
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 2437/4885LMNA 1491/4885
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS PIR, PFAS, PNPO TP53 1287/4885HTT 1265/4885LMNA 4365/4885

“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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