SCHEMBL209577

SCHEMBL209577

Cc1nc(CN2CCN(c3c(Br)cnc(N)c3[N+](=O)[O-])CC2)cs1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
DCTPP1 Q9H773 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
AURKA O14965 8/20 0.36
KCNH2 Q12809 1/20 0.35
AURKB Q96GD4 1/20 0.35
AURKC Q9UQB9 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.34
ACKR3 P25106 1/20 0.33
FLT3 P36888 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL210013 0.88 DCTPP1 (0.45) KMT2ADCTPP1SMN1; SMN2ALDH1A1AURKA
SCHEMBL208704 0.88 DRD2 (0.38) KMT2ASMN1; SMN2AURKAKCNH2AURKB
SCHEMBL208861 0.83 AURKA (0.45) KMT2AALDH1A1AURKAKCNH2AURKB
SCHEMBL210022 0.81 AURKA (0.52) AURKAKCNH2AURKBAURKCFLT3
SCHEMBL208690 0.80 AURKA (0.34) KMT2ASMN1; SMN2ALDH1A1AURKAKCNH2
SCHEMBL208825 0.80 MAPT (0.45) KMT2ASMN1; SMN2ALDH1A1GAALMNA
SCHEMBL209244 0.79 ALDH1A1 (0.55) KMT2ASMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL211301 0.79 ALOX15 (0.37) KMT2ASMN1; SMN2ALDH1A1AURKALMNA
SCHEMBL208884 0.79 SRPK1 (0.34) KMT2ASMN1; SMN2ALDH1A1AURKALMNA
SCHEMBL210004 0.78 AURKA (0.51) SMN1; SMN2AURKAKCNH2AURKBAURKC

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 12 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
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-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
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
WO-2009001021-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES CHROMA THERAPEUTICS LTD. (GB) 2008-12-31 WO disclosed
EP-1963315-A2 ENZYME INHIBITORS The Institute of Cancer Research (GB) 2008-09-03 EP disclosed
WO-2007072017-A2 ENZYME INHIBITORS THE INSTITUTE OF CANCER RESEARCH (GB) 2007-06-28 WO disclosed
WO-2007072017-A2 ENZYME INHIBITORS THE INSTITUTE OF CANCER RESEARCH (GB) 2007-06-28 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 (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 KMT2A 384/4885DCTPP1 4356/4885SMN1; SMN2 3132/4885

“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.