SCHEMBL6311538

SCHEMBL6311538

Cc1cccc2[nH]c(CC#N)nc12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGAM O43451 15/20 0.47
GAA P10253 15/20 0.47
SI P14410 15/20 0.47
MGAM2 Q2M2H8 15/20 0.47
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ESR1 P03372 1/20 0.43
CBFB Q13951 1/20 0.43

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
SCHEMBL4359045 0.81 MGAM (0.51) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11574137 0.81 PSMB8 (0.59) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4919548 0.80 DDAH1 (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL30518181 0.80 DDAH1 (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8328058 0.79 PKM (0.57) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4105591 0.79 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11749738 0.79 GAA (0.40) GAAALDH1A1TDP1ESR1
SCHEMBL7409334 0.78 MGAM (0.49) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4062820 0.78 MGAM (0.51) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4346855 0.78 MGAM (0.51) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113397-A1 Imidazo[1,2-a]pyridine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-05-26 US disclosed
EP-1479681-A1 IMIDAZO(1,2-a)PYRIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-24 EP disclosed
US-4113718-A Basic azo dyes CIBA-GEIGY CORPORATION (US) 1978-09-12 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-20050113397-A1 Imidazo[1,2-a]pyridine derivative MANBA, MAN2B1, ERG28 MGAM 11/4885GAA 58/4885SI 562/4885

“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.