SCHEMBL12788461

SCHEMBL12788461

COC(=O)c1ccnc(Oc2ccc(CCNc3ncnc4nccnc34)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ KDM5B Q9UGL1 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAP2K7 O14733 3/20 0.39
▸ LOXL2 Q9Y4K0 3/20 0.39
▸ LOX P28300 2/20 0.39
▸ HTT P42858 2/20 0.36
▸ CDK1 P06493 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PLAAT3 P53816 1/20 0.35
▸ PLAAT5 Q96KN8 1/20 0.35
▸ PLAAT2 Q9NWW9 1/20 0.35
▸ PLAAT4 Q9UL19 1/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ KDM6B O15054 1/20 0.34

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
SCHEMBL12788779 0.92 HTT (0.42) AURKARPS6KB1TP53MAP2K7LOXL2
SCHEMBL12788724 0.91 AURKA (0.37) AURKARPS6KB1TP53MAP2K7LOXL2
SCHEMBL12788812 0.91 AURKA (0.37) AURKARPS6KB1KDM5BTP53MAP2K7
SCHEMBL12811758 0.90 LOXL2 (0.43) AURKARPS6KB1KDM5BTP53MAP2K7
SCHEMBL12788768 0.89 AURKA (0.36) AURKARPS6KB1KDM5BTP53MAP2K7
SCHEMBL12788103 0.87 AURKA (0.36) AURKARPS6KB1TP53MAP2K7LOXL2
SCHEMBL12788098 0.86 TP53 (0.38) AURKARPS6KB1TP53MAP2K7LOXL2
SCHEMBL12788250 0.85 TP53 (0.47) AURKARPS6KB1TP53MAP2K7HTT
SCHEMBL12811543 0.84 TP53 (0.41) AURKARPS6KB1TP53MAP2K7HTT
SCHEMBL12788021 0.84 TP53 (0.41) AURKARPS6KB1TP53MAP2K7HTT

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 AURKA 1538/4885RPS6KB1 3449/4885KDM5B 175/4885
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS PIR, PFAS, PNPO AURKA 1014/4885RPS6KB1 1206/4885KDM5B 1336/4885

“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.

Send feedback