SCHEMBL1437070

SCHEMBL1437070

Oc1ccc(CCNc2ncnc3nccnc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.56
▸ TTBK1 Q5TCY1 2/20 0.54
▸ TTBK2 Q6IQ55 2/20 0.54
▸ HTT P42858 8/20 0.52
▸ NR2F2 P24468 1/20 0.51
▸ AURKA O14965 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ EGFR P00533 1/20 0.40
▸ APP P05067 1/20 0.40
▸ GALR3 O60755 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SLC29A1 Q99808 1/20 0.40

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
SCHEMBL1437662 0.86 HTT (0.49) RAB9ATTBK1TTBK2HTTNR2F2
SCHEMBL12787924 0.84 CCNB2 (0.44) RAB9ATTBK1TTBK2HTTNR2F2
SCHEMBL12788396 0.83 HTT (0.50) RAB9AHTTAURKALMNAMEN1
SCHEMBL12788030 0.82 TP53 (0.60) RAB9AHTTNR2F2AURKALMNA
SCHEMBL12788972 0.82 RAB9A (0.43) RAB9ATTBK1TTBK2HTTNR2F2
SCHEMBL12788727 0.82 HTT (0.40) RAB9ATTBK1TTBK2HTTNR2F2
SCHEMBL12788740 0.82 HTT (0.43) RAB9ATTBK1TTBK2HTTNR2F2
SCHEMBL12788891 0.82 HTT (0.44) RAB9ATTBK1TTBK2HTTNR2F2
SCHEMBL1437288 0.81 F2 (0.57) RAB9AHTTLMNAMEN1KMT2A
SCHEMBL12788171 0.81 DRD4 (0.41) RAB9ATTBK1TTBK2HTTLMNA

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 RAB9A 3427/4885TTBK1 4819/4885TTBK2 4404/4885
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS PIR, PFAS, PNPO RAB9A 946/4885TTBK1 3418/4885TTBK2 2982/4885

“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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