SCHEMBL6311670

SCHEMBL6311670

CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCC1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.61
ALDH1A1 P00352 6/20 0.61
LMNA P02545 3/20 0.61
MAPT P10636 2/20 0.61
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
NPC1 O15118 1/20 0.61
MDM2 Q00987 1/20 0.61
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
KMT2A Q03164 7/20 0.59
MEN1 O00255 6/20 0.59
TSHR P16473 2/20 0.59
HK1 P19367 1/20 0.59
HKDC1 Q2TB90 1/20 0.59
HIF1A Q16665 1/20 0.55
SLC2A1 P11166 1/20 0.54
HPGD P15428 2/20 0.53
HTT P42858 1/20 0.53
KDM4E B2RXH2 3/20 0.52

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
SCHEMBL6310820 0.86 ALDH1A1 (0.55) NPSR1ALDH1A1LMNAMAPTRAB9A
SCHEMBL6311675 0.84 CYP2C9 (0.63) NPSR1ALDH1A1LMNAMAPTRAB9A
SCHEMBL14728220 0.81 NPSR1 (0.61) NPSR1ALDH1A1LMNAMAPTRAB9A
SCHEMBL6311128 0.79 HIF1A (0.56) NPSR1ALDH1A1LMNAMAPTRAB9A
SCHEMBL6314332 0.79 MEN1 (0.54) NPSR1ALDH1A1LMNAMAPTRAB9A
SCHEMBL14728326 0.78 CYP2C9 (0.66) NPSR1ALDH1A1LMNAMAPTRAB9A
SCHEMBL6312840 0.78 L3MBTL1 (0.59) NPSR1ALDH1A1LMNAMAPTRAB9A
Hydrochloric Acid SCHEMBL6311162 0.78 HIF1A (0.53) NPSR1ALDH1A1LMNAMAPTRAB9A
SCHEMBL6311356 0.77 KMT2A (0.51) NPSR1ALDH1A1LMNAMAPTRAB9A
SCHEMBL6310953 0.77 NPSR1 (0.60) NPSR1ALDH1A1LMNAMAPTRAB9A

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 1531/4885ALDH1A1 2550/4885LMNA 3993/4885

“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.