SCHEMBL10175002

SCHEMBL10175002

CN(Cc1cc(Br)cc([N+](=O)[O-])c1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MMP1 P03956 3/20 0.37
MMP2 P08253 3/20 0.37
MMP9 P14780 3/20 0.37
MMP8 P22894 3/20 0.37
MMP13 P45452 3/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
RIPK1 Q13546 1/20 0.36
NR1D1 P20393 1/20 0.36
LMNA P02545 2/20 0.36
ACP1 P24666 1/20 0.36
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
ALOX5 P09917 1/20 0.34
CACNA1G O43497 1/20 0.34

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
SCHEMBL22771190 0.85 RIPK1 (0.43) RIPK1HTR2CSLC6A4CACNA1GCACNA1B
SCHEMBL3296353 0.81 PYCR1 (0.51) ALDH1A1SMN1; SMN2MAPTHTTLMNA
SCHEMBL18327669 0.80 RIPK1 (0.40) RIPK1HTR2CSLC6A4CACNA1GCACNA1B
SCHEMBL3156438 0.80 NR1D1 (0.52) ALDH1A1MMP1MMP2MMP9MMP8
SCHEMBL10174998 0.79 RIPK1 (0.39) RIPK1HTR2CSLC6A4CACNA1GCACNA1B
SCHEMBL3309773 0.78 ITGA4 (0.41) ALDH1A1SMN1; SMN2MMP1MMP2MMP9
SCHEMBL22126762 0.76 HTT (0.37) ALDH1A1SMN1; SMN2MAPTHTTKMT2A
SCHEMBL31071647 0.76 HTT (0.37) ALDH1A1SMN1; SMN2MAPTHTTKMT2A
SCHEMBL22771147 0.75 HTR2C (0.38) MMP1MMP2MMP9MMP13RIPK1
SCHEMBL8165488 0.75 HTT (0.39) ALDH1A1SMN1; SMN2MAPTHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722687-B2 Imidazo [1,2-A]pyridine derivatives as FGFR kinase inhibitors for use in therapy ASTEX THERAPEUTICS LTD (GB) 2014-05-13 US disclosed
US-20120041000-A1 IMIDAZO [1,2-A]PYRIDINE DERIVATIVES AS FGFR KINASE INHIBITORS FOR USE IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2012-02-16 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-20120041000-A1 IMIDAZO [1,2-A]PYRIDINE DERIVATIVES AS FGFR KINASE INHIBITORS FOR USE IN THERAPY FGFR1, FGFR3, FGFR2 ALDH1A1 475/4885SMN1; SMN2 3124/4885MMP1 4283/4885

“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.