Sugi Predict

Sugi Predict / Compounds / SCHEMBL994489

SCHEMBL994489

SCHEMBL994489

Nc1ccc2c(c1)OCOC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ GAA P10253 3/20 0.44
▸ LMNA P02545 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ CYP19A1 P11511 2/20 0.37
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ MITF O75030 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 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
SCHEMBL1167973 0.84 LMNA (0.51) MAPTKDM4EGAALMNASMN1; SMN2
SCHEMBL8282741 0.82 MAPT (0.61) MAPTKDM4EGAALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL4269947 0.82 LMNA (0.50) MAPTKDM4EGAALMNASMN1; SMN2
SCHEMBL1046470 0.76 ALOX5 (0.30) —
SCHEMBL3331065 0.76 CYP3A4 (0.55) MAPTRAB9ACA2ALDH1A1CYP3A4
SCHEMBL6490064 0.76 ADRA2A (0.36) —
SCHEMBL30338444 0.76 APEX1 (0.34) MAPTKDM4EGAASMN1; SMN2NPC1
SCHEMBL1906239 0.76 BLM (0.46) MAPTLMNANPC1RAB9AMEN1
SCHEMBL5373991 0.76 ALOX5 (0.30) —
SCHEMBL90933 0.76 MMP12 (0.36) MAPTKDM4EGAALMNASMN1; SMN2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 — — US claimed
EP-2330904-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES Bayer CropScience AG (DE) 2011-06-15 — — EP claimed
US-20110105472-A1 Diaminopyrimidines as crop protection agents BAYER CROPSCIENCE AG (DE) 2011-05-05 — — US claimed
EP-2268144-A2 DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS Bayer CropScience AG (DE) 2011-01-05 — — EP claimed
US-20100081679-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-01 — — US claimed
WO-2010025863-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 — — WO claimed
WO-2010025871-A1 4-HALOGEN ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES FOR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 — — WO claimed
EP-2161259-A1 4-Haloalkyl substituted Diaminopyrimidine Bayer CropScience AG (DE) 2010-03-10 — — EP claimed
EP-2129222-A1 DIAMINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2009-12-09 — — EP claimed
WO-2009115267-A2 DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2009-09-24 — — WO claimed
WO-2008107096-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2008-09-12 — — WO claimed
EP-1773835-B1 PYRIDO-PYRIDO-PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, THERAPEUTIC USE THEREOF FOR TREATING CANCER SANOFI SA (FR) 2014-09-24 — — EP disclosed
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 — — US disclosed
EP-2330904-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES Bayer CropScience AG (DE) 2011-06-15 — — EP disclosed
US-20110105472-A1 Diaminopyrimidines as crop protection agents BAYER CROPSCIENCE AG (DE) 2011-05-05 — — US disclosed
WO-2009115267-A2 DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2009-09-24 — — WO disclosed
US-20090233923-A1 PYRIDO-PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-09-17 — — US disclosed
US-7544682-B2 Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof SANOFI-AVENTIS (FR) 2009-06-09 — — US disclosed
WO-2008107096-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2008-09-12 — — WO disclosed
US-20070167469-A1 Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-07-19 — — US 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 (5 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-20070167469-A1 Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof DPYD, PNPO, TYMP MAPT 2111/4885KDM4E 3358/4885GAA 1429/4885
US-20100081679-A1 DIAMINOPYRIMIDINES AS FUNGICIDES PM20D2, DDT, DDX41 MAPT 4391/4885KDM4E 1075/4885GAA 1766/4885
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines DPM1, DPYD, POLR1C MAPT 4144/4885KDM4E 1081/4885GAA 781/4885
US-20090233923-A1 PYRIDO-PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF DPYD, PNPO, TYMP MAPT 1950/4885KDM4E 3372/4885GAA 1519/4885
US-20110105472-A1 Diaminopyrimidines as crop protection agents DDX41, DDX1, DDX5 MAPT 4235/4885KDM4E 2179/4885GAA 1486/4885

“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.