SCHEMBL717500

SCHEMBL717500

CSc1nc(O)c(I)c(Cl)n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 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
SCHEMBL721780 0.84 KMT2A (0.36) KMT2AMEN1GAASMN1; SMN2CYP1A2
SCHEMBL15457567 0.78 KMT2A (0.33) KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL1920514 0.77 PKM (0.35) GAASMN1; SMN2MAPK1POLB
SCHEMBL1935371 0.77 KMT2A (0.36) KMT2AMEN1GAASMN1; SMN2CYP1A2
SCHEMBL719751 0.75 HSP90AB1 (0.38) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL21166163 0.75 POLB (0.34) KMT2AMEN1GAASMN1; SMN2CYP1A2
SCHEMBL28960187 0.72 KMT2A (0.37) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL16209522 0.72 L3MBTL1 (0.43) KMT2AMEN1GAASMN1; SMN2CYP1A2
SCHEMBL3114591 0.71
SCHEMBL6244063 0.71 CYP1A2 (0.39) CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
EP-2396306-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2011-12-21 EP disclosed
WO-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 WO disclosed
US-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 US disclosed
US-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 US disclosed
US-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 US disclosed
EP-1896428-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OP GABA B MEDIATED NERVOUS SYSTEM DISORDERS Novartis AG (CH) 2008-03-12 EP disclosed
WO-2006136442-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OP GABA B MEDIATED NERVOUS SYSTEM DISORDERS NOVARTIS AG (CH) 2006-12-28 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 (2 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-20100179127-A1 PYRIMIDINE DERIVATIVES DPYD, NUDT1, HPRT1 KMT2A 2439/4885MEN1 1439/4885GAA 3097/4885
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES DPYD, DHODH, TYMP KMT2A 2226/4885MEN1 4540/4885GAA 993/4885

“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.