SCHEMBL993416

SCHEMBL993416

CCc1nc2cc(N)ccc2o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.64
RAB9A P51151 13/20 0.60
NPC1 O15118 12/20 0.60
MAPT P10636 10/20 0.60
SMN1; SMN2 Q16637 10/20 0.60
KDM4E B2RXH2 9/20 0.60
HSD17B10 Q99714 6/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
POLB P06746 1/20 0.59
GAA P10253 3/20 0.55
IL6 P05231 1/20 0.55
STAT3 P40763 1/20 0.55
GFER P55789 2/20 0.53
RXFP1 Q9HBX9 2/20 0.53
ALDH1A1 P00352 8/20 0.52
MEN1 O00255 6/20 0.52

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
SCHEMBL2245602 0.86 GRK6 (0.69) GRK6RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL16183330 0.86 NPC1 (0.55) GRK6RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL29236600 0.84 GRK6 (0.66) GRK6RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL3585818 0.82 GRK6 (0.64) GRK6RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL14100099 0.81 GRK6 (0.59) GRK6RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL38661781 0.81 GRK6 (0.59) GRK6RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL5542189 0.80 GAA (0.56) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL10224642 0.80 GAA (0.69) GRK6RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL23188417 0.79 GAA (0.59) GRK6RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL13565572 0.79 GAA (0.55) GRK6RAB9ANPC1MAPTSMN1; 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 32 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
CN-101621927-A Diaminopyrimidines as fungicides BAYER CROPSCIENCE AG 2010-01-06 CN 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-3892623-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF Korea Research Institute of Chemical Technology (KR) 2021-10-13 EP disclosed
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 US disclosed
CN-102123591-A Diaminopyrimidines as plant protection agents BAYER CROPSCIENCE AG 2011-07-13 CN disclosed
EP-2330904-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
WO-2008107096-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2008-09-12 WO disclosed
US-6093716-A Substituted 2-pyrimidineamines and processes for their preparation CELLTECH THERAPEUTICS, LIMITED (GB) 2000-07-25 US disclosed
EP-0929549-A1 SUBSTITUTED 2-PYRIMIDINEAMINES, THEIR PREPARATION AND THEIR USE AS PROTEINE KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1999-07-21 EP disclosed
WO-1998011095-A1 SUBSTITUTED 2-PYRIMIDINEAMINES, THEIR PREPARATION AND THEIR USE AS PROTEINE KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-03-19 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 (3 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-20100081679-A1 DIAMINOPYRIMIDINES AS FUNGICIDES PM20D2, DDT, DDX41 GRK6 2239/4885RAB9A 534/4885NPC1 4817/4885
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines DPM1, DPYD, POLR1C GRK6 1911/4885RAB9A 4047/4885NPC1 4644/4885
US-20110105472-A1 Diaminopyrimidines as crop protection agents DDX41, DDX1, DDX5 GRK6 2048/4885RAB9A 706/4885NPC1 4614/4885

“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.