SCHEMBL1592707

SCHEMBL1592707

CS(=O)(=O)c1cccc(NC(=N)N)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
CA1 P00915 9/20 0.49
CA2 P00918 9/20 0.49
CSNK2A1 P68400 1/20 0.47
CA12 O43570 6/20 0.46
CA9 Q16790 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ROCK1 Q13464 1/20 0.46
POLB P06746 1/20 0.46
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44

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
Nitric Acid SCHEMBL2075198 0.93 LMNA (0.48) LMNAMEN1ALDH1A1KMT2ACA1
SCHEMBL1593097 0.85 CA1 (0.64) CA1CA2CA12CA9MAPT
SCHEMBL3494987 0.85 LMNA (0.58) LMNAMEN1ALDH1A1KMT2ACA1
SCHEMBL4151992 0.84 LMNA (0.52) LMNAMEN1KMT2ACA1CA2
Hydrochloric Acid SCHEMBL2433442 0.83 CA1 (0.62) CA1CA2CA12CA9MAPT
SCHEMBL4524583 0.83 CYP1A2 (0.57) LMNAMEN1ALDH1A1KMT2ACA1
SCHEMBL18743038 0.82 LMNA (0.50) LMNAMEN1ALDH1A1KMT2ACA1
SCHEMBL15131518 0.82 MEN1 (0.51) LMNAMEN1ALDH1A1KMT2ACA1
SCHEMBL8334507 0.81 MEN1 (0.50) LMNAMEN1ALDH1A1KMT2ACA1
SCHEMBL4163332 0.80 LMNA (0.51) LMNACA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP claimed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO claimed
CN-103524442-A Pyrimidine compound, triazine compound and application thereof as medicine LE SUN PHARMACEUTICALS LTD 2014-01-22 CN disclosed
US-20110092490-A1 PYRIMIDINES, TRIAZINES AND THEIR USE AS PHARMACEUTICAL AGENTS THE UNIVERSITY OF NOTTINGHAM (GB) 2011-04-21 US disclosed
WO-2009118567-A2 PYRIMIDINES, TRIAZINES AND THEIR USE AS PHARMACEUTICAL AGENTS THE UNIVERSITY OF NOTTINGHAM (GB) 2009-10-01 WO disclosed
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US disclosed
CN-100415740-C Pyrimidine compounds CYCLACEL LTD (GB) 2008-09-03 CN disclosed
CN-1989138-A 2-Substituted-4-heteroaryl-pyrimidines useful in the treatment of proliferative diseases CYCLACEL LTD (GB) 2007-06-27 CN disclosed
EP-1756098-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2007-02-28 EP disclosed
WO-2005116025-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2005-12-08 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-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CDK2, CDK4, CDK20 LMNA 1768/4885MEN1 2980/4885ALDH1A1 2743/4885
US-20110092490-A1 PYRIMIDINES, TRIAZINES AND THEIR USE AS PHARMACEUTICAL AGENTS HRH2, HRH3, HRH4 LMNA 2847/4885MEN1 3293/4885ALDH1A1 3650/4885

“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.