SCHEMBL2748645

SCHEMBL2748645

Nc1nc(Cl)cc(OCc2ccc(CNC(=O)C(F)(F)F)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.41
NUDT1 P36639 1/20 0.40
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 1/20 0.39
CDK5 Q00535 2/20 0.38
TAOK1 Q7L7X3 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
CHEK1 O14757 1/20 0.38
IKBKB O14920 1/20 0.38
DCLK1 O15075 1/20 0.38
ROCK2 O75116 1/20 0.38
RPS6KA5 O75582 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
CHEK2 O96017 1/20 0.38
EGFR P00533 1/20 0.38
LCK P06239 1/20 0.38
PIM1 P11309 1/20 0.38

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
SCHEMBL2098363 0.89 PIN1 (0.58) PIN1NUDT1CDK5TAOK1CLK4
SCHEMBL23481321 0.88 CA1 (0.45) PIN1SMN1; SMN2NUDT1ALDH1A1RAB9A
SCHEMBL2749668 0.87 PIN1 (0.56) PIN1NUDT1ALDH1A1CDK5TAOK1
SCHEMBL2749274 0.87 PIN1 (0.56) PIN1SMN1; SMN2NUDT1RAB9ACDK5
SCHEMBL18573848 0.84 SMN1; SMN2 (0.46) PIN1SMN1; SMN2NUDT1ALDH1A1RAB9A
SCHEMBL2747687 0.83 PIN1 (0.56) PIN1NUDT1CDK5TAOK1CLK4
SCHEMBL18573951 0.82 SMN1; SMN2 (0.47) SMN1; SMN2NUDT1ALDH1A1RAB9AMEN1
SCHEMBL13845558 0.82 TPSAB1 (0.48) SMN1; SMN2NUDT1ALDH1A1RAB9AMEN1
SCHEMBL20434695 0.81 ERCC1 (0.44) SMN1; SMN2NUDT1ALDH1A1RAB9A
SCHEMBL15483861 0.81 ALDH1A1 (0.49) SMN1; SMN2NUDT1ALDH1A1RAB9AMAPK1

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
EP-1874738-B1 PYRIMIDINES REACTING WITH O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE COVALYS BIOSCIENCES AG (CH) 2016-06-29 EP disclosed
US-8178314-B2 Pyrimidines reacting with O6-alkylguanine-DNA alkyltransferase fusion protein and method for detecting protein COVALYS BIOSCIENCES AG (CH) 2012-05-15 US disclosed
US-20090186373-A1 Pyrimidines reacting with O6-Alkylguanine-DNA alkyltransferase COVALYS BIOSCIENCES AG (CH) 2009-07-23 US disclosed
EP-1874738-A1 PYRIMIDINES REACTING WITH O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE Covalys Biosciences AG (CH) 2008-01-09 EP disclosed
WO-2006114409-A9 PYRIMIDINES REACTING WITH O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE COVALYS BIOSCIENCES AG (CH) 2007-10-18 WO disclosed
WO-2006114409-A1 PYRIMIDINES REACTING WITH O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE COVALYS BIOSCIENCES AG (CH) 2006-11-02 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-20090186373-A1 Pyrimidines reacting with O6-Alkylguanine-DNA alkyltransferase HPRT1, UNG, DPYD PIN1 2835/4885SMN1; SMN2 4497/4885NUDT1 8/4885

“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.