SCHEMBL6318897

SCHEMBL6318897

Cc1c(Cc2ccc(C(=O)O)cc2)c(N2CC[C@H](N(C)C)C2)n2c(nc3ccccc32)c1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 3/20 0.50
CASP1 P29466 2/20 0.50
CASP7 P55210 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPSR1 Q6W5P4 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 5/20 0.48
MAPK1 P28482 2/20 0.48
HSP90AA1 P07900 1/20 0.48
MCL1 Q07820 1/20 0.48
HIF1A Q16665 1/20 0.47
ATM Q13315 1/20 0.47
HRH3 Q9Y5N1 5/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44

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
SCHEMBL6314312 0.92 ALDH1A1 (0.54) ALDH1A1TSHRCASP1CASP7HPGD
Formic Acid SCHEMBL6312631 0.91 KDM4E (0.51) ALDH1A1TSHRCASP1CASP7HPGD
SCHEMBL6312411 0.91 MEN1 (0.51) ALDH1A1TSHRCASP1CASP7HPGD
SCHEMBL6310652 0.89 NPSR1 (0.50) ALDH1A1TSHRCASP1CASP7HPGD
SCHEMBL6312145 0.89 NPSR1 (0.50) ALDH1A1TSHRCASP1CASP7HPGD
SCHEMBL6313241 0.89 KDM4E (0.55) ALDH1A1TSHRCASP1CASP7HPGD
SCHEMBL6311896 0.88 HRH1 (0.54) ALDH1A1TSHRCASP1CASP7HPGD
SCHEMBL6309879 0.87 MEN1 (0.57) ALDH1A1TSHRCASP1CASP7HPGD
SCHEMBL6310986 0.87 NPSR1 (0.47) ALDH1A1TSHRCASP1CASP7HPGD
SCHEMBL6311088 0.86 KDM4E (0.49) ALDH1A1TSHRCASP1CASP7HPGD

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-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

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 ALDH1A1 2550/4885TSHR 4471/4885CASP1 261/4885

“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.