SCHEMBL6310653

SCHEMBL6310653

Cc1c(C(C)C)c(Cl)c2c(nc3ccccn32)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.40
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 6/20 0.34
GLA P06280 5/20 0.34
GAA P10253 5/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
PIK3CD O00329 7/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK10 P53779 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HPGD P15428 3/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ADORA3 P0DMS8 1/20 0.32

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
SCHEMBL6312786 0.86 KDM4E (0.44) KDM4ETP53MAPTALDH1A1GLA
SCHEMBL6309849 0.83 KDM4E (0.41) KDM4ETP53MAPTALDH1A1GLA
SCHEMBL6310328 0.81 NPSR1 (0.44) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL6310367 0.81 HTT (0.43) KDM4EALDH1A1PIK3CDNPC1RAB9A
SCHEMBL6312086 0.78 MAPT (0.47) KDM4ETP53MAPTALDH1A1GAA
SCHEMBL6311004 0.78 ENPP2 (0.43) KDM4EMAPTALDH1A1GLANPC1
SCHEMBL6311042 0.77 KDM4E (0.45) KDM4ETP53MAPTALDH1A1GAA
SCHEMBL6311562 0.77 HPGD (0.43) KDM4ETP53MAPTALDH1A1GLA
SCHEMBL6310742 0.77 HPGD (0.43) KDM4ETP53MAPTALDH1A1GLA
SCHEMBL6311468 0.77 HPGD (0.45) KDM4ETP53MAPTALDH1A1GAA

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 KDM4E 3360/4885TP53 3018/4885MAPT 1694/4885

“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.