SCHEMBL604517

SCHEMBL604517

Cc1nc(Cl)cc(-c2ccccn2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.59
CCR5 P51681 3/20 0.59
CCR8 P51685 3/20 0.59
GPR39 O43194 3/20 0.55
KDM4E B2RXH2 6/20 0.50
LMNA P02545 3/20 0.50
METAP1 P53582 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
DOHH Q9BU89 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
TDP1 Q9NUW8 3/20 0.48
TP53 P04637 3/20 0.48
ALOX15 P16050 2/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 2/20 0.48

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
SCHEMBL15040946 0.87 KDM4E (0.61) CCR1CCR5CCR8GPR39KDM4E
SCHEMBL16606383 0.81 KDM4E (0.54) CCR1CCR5CCR8GPR39KDM4E
SCHEMBL2369433 0.81 CCR1 (0.63) CCR1CCR5CCR8GPR39KDM4E
SCHEMBL29545764 0.81 CCR1 (0.63) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL4490247 0.81 CCR1 (0.63) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL602881 0.79 KDM4E (0.50) CCR1CCR5CCR8GPR39KDM4E
SCHEMBL13982039 0.79 KDM4E (0.50) CCR1CCR5CCR8GPR39KDM4E
SCHEMBL18104278 0.79 KDM4E (0.50) CCR1CCR5CCR8GPR39KDM4E
SCHEMBL25004067 0.77 CCR1 (0.58) CCR1CCR5CCR8KDM4ELMNA
Hydrochloric Acid SCHEMBL28907429 0.76 CCR1 (0.79) CCR1CCR5CCR8GPR39KDM4E

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 CCR1 3663/4885CCR5 2139/4885CCR8 3405/4885

“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.