SCHEMBL6311689

SCHEMBL6311689

CC(=O)OCCc1c(C)c(C#N)c2nc3ccccn3c2c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KMT2A Q03164 3/20 0.35
GAA P10253 4/20 0.35
RAD52 P43351 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL6318124 0.83 ALDH1A1 (0.43) ALDH1A1RXFP1MAPK1SMN1; SMN2KDM4E
SCHEMBL6312086 0.83 MAPT (0.47) ALDH1A1SMN1; SMN2KDM4EHSD17B10NPSR1
SCHEMBL6310501 0.81 KDM4E (0.36) ALDH1A1RXFP1MAPK1SMN1; SMN2KDM4E
SCHEMBL6310328 0.81 NPSR1 (0.44) ALDH1A1RXFP1SMN1; SMN2KDM4EHSD17B10
SCHEMBL6311562 0.81 HPGD (0.43) ALDH1A1SMN1; SMN2KDM4EHSD17B10NPSR1
SCHEMBL6310742 0.81 HPGD (0.43) ALDH1A1SMN1; SMN2KDM4EHSD17B10NPSR1
SCHEMBL6311004 0.79 ENPP2 (0.43) ALDH1A1MAPK1SMN1; SMN2KDM4EHSD17B10
SCHEMBL6311104 0.79 ENPP2 (0.41) ALDH1A1RXFP1MAPK1SMN1; SMN2KDM4E
SCHEMBL6311865 0.79 ALDH1A1 (0.33) ALDH1A1RXFP1SMN1; SMN2KDM4EHSD17B10
SCHEMBL6310471 0.78 HSD17B10 (0.39) ALDH1A1SMN1; SMN2KDM4EHSD17B10NPSR1

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 2550/4885RXFP1 1521/4885MAPK1 772/4885

“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.