SCHEMBL601855

SCHEMBL601855

CC(C)c1nc(C#N)cc(C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.36
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
CTSS P25774 1/20 0.33
IDH1 O75874 1/20 0.31
AR P10275 4/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KCNH2 Q12809 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL26021838 0.84 SQOR (0.33) L3MBTL1
SCHEMBL18471442 0.81 CYP2C19 (0.50) CYP2C19CYP3A4CYP2D6TSHRCRHBP
SCHEMBL17618310 0.74 HSP90AA1 (0.55) CYP2C19CYP3A4CYP2D6TSHRCRHBP
SCHEMBL25991641 0.74 TAS2R14 (0.39) CYP2C19CYP3A4CYP2D6TSHRCRHBP
SCHEMBL23011240 0.73 NQO1 (0.32)
SCHEMBL16648733 0.73 CYP2C19 (0.43) CYP2C19CYP3A4CYP2D6TSHRCRHBP
SCHEMBL601277 0.73 CYP3A4 (0.43) CYP2C19CYP3A4CYP2D6TSHRCRHBP
SCHEMBL21614639 0.73 HSP90AA1 (0.40) TAS2R14LMNAKDM4EHSP90AA1HSP90AB1
SCHEMBL20399842 0.73 KDM4E (0.41) CYP2C19TAS2R14LMNAKDM4EHSP90AA1
SCHEMBL602851 0.72 ALDH1A1 (0.37) CYP2C19TAS2R14LMNAKDM4EHSP90AA1

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
CN-102428082-A Pyrimidine compounds and their use in pest control SUMITOMO CHEMICAL CO 2012-04-25 CN disclosed
EP-2432780-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2012-03-28 EP disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
WO-2010134478-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-25 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-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL TYMP, DPYD, TYMS CYP2C19 391/4885CYP3A4 1535/4885CYP2D6 546/4885

“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.