SCHEMBL3513951

SCHEMBL3513951

CCOC(=O)c1cncc(-c2cc(C)nc(Nc3cccc(Cl)c3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 1/20 0.59
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
THRB P10828 1/20 0.51
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
PDPK1 O15530 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
KDR P35968 5/20 0.47
TP53 P04637 1/20 0.46
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
PRKCA P17252 1/20 0.45
PRKCD Q05655 1/20 0.45
SYK P43405 1/20 0.44
BRAF P15056 2/20 0.43
P2RY12 Q9H244 1/20 0.43

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
SCHEMBL14017617 0.84 KDR (0.65) KDRBRAF
SCHEMBL14017830 0.81 TRPV1 (0.52) KDM4ERAB9ASMN1; SMN2NPC1MEN1
SCHEMBL14018401 0.80 ABL1 (0.52) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL14017622 0.78 CYP2C9 (0.52) KDM4ERAB9ASMN1; SMN2NPC1MEN1
SCHEMBL14017623 0.77 TRPV1 (0.47) KDM4ERAB9ASMN1; SMN2NPC1THRB
SCHEMBL4670192 0.76 KDR (0.70) RAB9ANPC1MAPTKDRHTT
SCHEMBL3511551 0.73 MAOB (0.38) KDM4ESMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL14017653 0.73 CYP2C9 (0.52) TRPV1KDRBRAF
SCHEMBL2324173 0.73 MAPT (0.61) KDM4ERAB9ANPC1MAPTALDH1A1
SCHEMBL3378722 0.73 TRPV1 (0.48) KDM4ESMN1; SMN2MEN1KMT2AMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137309-A1 FUNGICIDES PHENYL-PYRIMIDNYL-AMINO DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-06-03 US claimed
EP-2155713-A1 FUNGICIDES PHENYL-PYRIMDINYL-AMINO DERIVATIVES Bayer CropScience SA (FR) 2010-02-24 EP claimed
WO-2008138992-A1 FUNGICIDES PHENYL-PYRIMDINYL-AMINO DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-11-20 WO claimed
US-20100137309-A1 FUNGICIDES PHENYL-PYRIMIDNYL-AMINO DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-06-03 US disclosed
EP-2155713-A1 FUNGICIDES PHENYL-PYRIMDINYL-AMINO DERIVATIVES Bayer CropScience SA (FR) 2010-02-24 EP disclosed
WO-2008138992-A1 FUNGICIDES PHENYL-PYRIMDINYL-AMINO DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-11-20 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 (1 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-20100137309-A1 FUNGICIDES PHENYL-PYRIMIDNYL-AMINO DERIVATIVES CYP1A1, CYP1A2, PAH KDM4E 444/4885RAB9A 555/4885SMN1; SMN2 4175/4885

“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.