SCHEMBL6311675

SCHEMBL6311675

CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CC[C@H](N)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
ALDH1A1 P00352 5/20 0.59
NPSR1 Q6W5P4 5/20 0.59
LMNA P02545 3/20 0.59
MAPT P10636 2/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 1/20 0.59
MDM2 Q00987 1/20 0.59
KMT2A Q03164 7/20 0.57
MEN1 O00255 6/20 0.57
TSHR P16473 2/20 0.57
HK1 P19367 1/20 0.57
HKDC1 Q2TB90 1/20 0.57
HIF1A Q16665 1/20 0.56
HPGD P15428 2/20 0.53
CASP1 P29466 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CASP7 P55210 1/20 0.53

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
SCHEMBL6310825 0.85 ALDH1A1 (0.52) CYP2C9CYP2C19ALDH1A1NPSR1LMNA
SCHEMBL6311670 0.84 NPSR1 (0.61) CYP2C9CYP2C19ALDH1A1NPSR1LMNA
SCHEMBL14728220 0.83 NPSR1 (0.61) CYP2C9CYP2C19ALDH1A1NPSR1LMNA
SCHEMBL14728309 0.81 NPSR1 (0.59) CYP2C9CYP2C19ALDH1A1NPSR1LMNA
SCHEMBL14728326 0.79 CYP2C9 (0.66) CYP2C9CYP2C19ALDH1A1NPSR1LMNA
SCHEMBL13856694 0.79 CYP2C9 (0.65) CYP2C9CYP2C19ALDH1A1NPSR1LMNA
SCHEMBL6314338 0.79 HIF1A (0.56) CYP2C9CYP2C19ALDH1A1NPSR1LMNA
SCHEMBL6311130 0.78 HIF1A (0.57) CYP2C9CYP2C19ALDH1A1NPSR1LMNA
SCHEMBL6312844 0.78 L3MBTL1 (0.59) CYP2C9CYP2C19ALDH1A1NPSR1LMNA
Hydrochloric Acid SCHEMBL6311165 0.78 HIF1A (0.55) CYP2C9CYP2C19ALDH1A1NPSR1LMNA

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 CYP2C9 1066/4885CYP2C19 1194/4885ALDH1A1 2550/4885

“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.