SCHEMBL12788972

SCHEMBL12788972

Oc1ccc(CCNc2ncnc3nccnc23)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.43
▸ HTT P42858 8/20 0.43
▸ NR2F2 P24468 1/20 0.43
▸ HSD17B10 Q99714 4/20 0.42
▸ TSHR P16473 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ STAT6 P42226 3/20 0.41
▸ GALR3 O60755 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TTBK1 Q5TCY1 2/20 0.38
▸ TTBK2 Q6IQ55 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ HSD17B2 P37059 1/20 0.38
▸ MAPK1 P28482 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL12788727 0.85 HTT (0.40) RAB9AHTTNR2F2HSD17B10TSHR
SCHEMBL12788891 0.85 HTT (0.44) RAB9AHTTNR2F2HSD17B10TSHR
SCHEMBL12788740 0.85 HTT (0.43) RAB9AHTTNR2F2HSD17B10TSHR
SCHEMBL12788003 0.83 SMN1; SMN2 (0.54) RAB9AHTTNR2F2HSD17B10TSHR
SCHEMBL12788608 0.82 MAPT (0.53) RAB9AHTTNR2F2HSD17B10TSHR
SCHEMBL1437070 0.82 RAB9A (0.56) RAB9AHTTNR2F2HSD17B10TSHR
SCHEMBL12788911 0.81 MAPT (0.44) RAB9AHTTNR2F2HSD17B10TSHR
SCHEMBL12787924 0.80 CCNB2 (0.44) RAB9AHTTNR2F2LMNATTBK1
SCHEMBL1437662 0.77 HTT (0.49) RAB9AHTTNR2F2HSD17B10TSHR
SCHEMBL12340597 0.76 HTT (0.44) RAB9AHTTNR2F2HSD17B10TSHR

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 RAB9A 3427/4885HTT 2437/4885NR2F2 1921/4885
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS PIR, PFAS, PNPO RAB9A 946/4885HTT 1265/4885NR2F2 2468/4885

“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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