SCHEMBL6401781

SCHEMBL6401781

C=Cc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCC1N(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.52
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
ALDH1A1 P00352 9/20 0.49
KDM4E B2RXH2 6/20 0.49
GLA P06280 4/20 0.49
GAA P10253 3/20 0.49
RXFP1 Q9HBX9 2/20 0.49
LMNA P02545 4/20 0.47
RECQL P46063 1/20 0.47
TSHR P16473 2/20 0.47
HIF1A Q16665 1/20 0.46
CASP1 P29466 3/20 0.45
CASP7 P55210 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 2/20 0.45
HSP90AA1 P07900 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 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
SCHEMBL6394998 0.89 ALDH1A1 (0.48) NPSR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL6395006 0.89 ALDH1A1 (0.48) NPSR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL6310518 0.86 ALDH1A1 (0.51) NPSR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL6314332 0.84 MEN1 (0.54) NPSR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL6311128 0.84 HIF1A (0.56) NPSR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL6317687 0.84 MAPT (0.51) NPSR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL6311356 0.84 KMT2A (0.51) NPSR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL6319413 0.84 MEN1 (0.49) NPSR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL6312840 0.83 L3MBTL1 (0.59) NPSR1MEN1KMT2AALDH1A1KDM4E
Formic Acid SCHEMBL6313185 0.83 NPSR1 (0.55) NPSR1MEN1KMT2AALDH1A1KDM4E

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 NPSR1 1531/4885MEN1 2268/4885KMT2A 4210/4885

“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.