SCHEMBL209444

SCHEMBL209444

Cc1csc(NC(=O)CN2CCN(c3c(Cl)cnc(N)c3[N+](=O)[O-])CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 1/20 0.44
AURKA O14965 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
AURKB Q96GD4 1/20 0.41
AURKC Q9UQB9 1/20 0.41
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL209230 0.85 LMNA (0.59) LMNASMN1; SMN2AURKACYP3A4CYP2D6
SCHEMBL208665 0.84 ALDH1A1 (0.40) LMNAKDM4EALOX15SMN1; SMN2AURKA
SCHEMBL208531 0.80 AURKA (0.51) LMNASMN1; SMN2HTTAURKAGAA
SCHEMBL2759414 0.79 LMNA (0.36) LMNAKDM4ESMN1; SMN2HTTAURKA
SCHEMBL14495694 0.78 HSP90AA1 (0.42) LMNAKDM4ESMN1; SMN2CYP3A4CYP2C9
SCHEMBL207701 0.77 AURKA (0.53) AURKACYP3A4CYP2D6CYP2C9GAA
SCHEMBL210013 0.75 DCTPP1 (0.45) LMNASMN1; SMN2AURKAGAAKMT2A
SCHEMBL209615 0.75 MAPT (0.45) LMNAKDM4ESMN1; SMN2HTTCYP2D6
SCHEMBL208675 0.74 AURKA (0.61) LMNASMN1; SMN2AURKAKMT2A
SCHEMBL13985740 0.72 LMNA (0.57) LMNASMN1; SMN2AURKAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963315-B1 ENZYME INHIBITORS CANCER REC TECH LTD (GB) 2014-10-08 EP disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US 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-20090247507-A1 Enzyme Inhibitors AURKC, AURKB, AURKA LMNA 2674/4885KDM4E 587/4885USP2 1502/4885

“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.