SCHEMBL12788091

SCHEMBL12788091

COc1ccc(CCNc2ncnc3nccnc23)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.43
▸ TP53 P04637 4/20 0.42
▸ CYP1A2 P05177 10/20 0.41
▸ CYP3A4 P08684 10/20 0.41
▸ CYP2D6 P10635 10/20 0.41
▸ CYP2C19 P33261 10/20 0.41
▸ CLK4 Q9HAZ1 10/20 0.41
▸ USP2 O75604 9/20 0.41
▸ CYP2C9 P11712 9/20 0.41
▸ LMNA P02545 6/20 0.41
▸ HIF1A Q16665 6/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ HSD17B10 Q99714 3/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ MAPK1 P28482 5/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ TSHR P16473 5/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HTT P42858 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
SCHEMBL12788928 0.89 CYP1A2 (0.43) THRBTP53CYP1A2CYP3A4CYP2D6
SCHEMBL12788918 0.83 HTT (0.40) CYP3A4LMNAMEN1KMT2AHSD17B10
SCHEMBL12788030 0.82 TP53 (0.60) TP53CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL12811336 0.80 KDM4E (0.41) THRBMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL12340562 0.80 THRB (0.48) THRBTP53CYP1A2CYP3A4CYP2D6
SCHEMBL12788275 0.80 GRM4 (0.36) —
SCHEMBL2181171 0.80 THRB (0.41) THRBTP53CYP1A2CYP3A4CYP2D6
SCHEMBL12788277 0.79 OPRM1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL12788280 0.79 THRB (0.41) THRBLMNAMAPK1MAPTNPSR1
SCHEMBL12788320 0.79 LMNA (0.35) CYP1A2CYP3A4CYP2D6CYP2C19CLK4

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 THRB 2649/4885TP53 3757/4885CYP1A2 97/4885
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS PIR, PFAS, PNPO THRB 2451/4885TP53 1287/4885CYP1A2 118/4885

“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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