SCHEMBL6311130

SCHEMBL6311130

Cc1c(CCO)c(N2CC[C@H](N(C)C)C2)n2c(nc3ccccc32)c1C#N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.57
ALDH1A1 P00352 7/20 0.56
TSHR P16473 3/20 0.56
CASP1 P29466 2/20 0.56
CASP7 P55210 2/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 1/20 0.56
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
NPSR1 Q6W5P4 4/20 0.55
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 4/20 0.50
GLA P06280 3/20 0.50
GAA P10253 3/20 0.50
RXFP1 Q9HBX9 2/20 0.50
CYP3A4 P08684 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
HSP90AA1 P07900 1/20 0.49

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
Hydrochloric Acid SCHEMBL6311165 0.91 HIF1A (0.55) HIF1AALDH1A1TSHRCASP1CASP7
SCHEMBL6312844 0.91 L3MBTL1 (0.59) HIF1AALDH1A1TSHRCASP1CASP7
SCHEMBL6314338 0.90 HIF1A (0.56) HIF1AALDH1A1TSHRCASP1CASP7
Formic Acid SCHEMBL6313188 0.89 NPSR1 (0.54) HIF1AALDH1A1TSHRCASP1CASP7
SCHEMBL6309879 0.89 MEN1 (0.57) HIF1AALDH1A1TSHRCASP1CASP7
SCHEMBL6312311 0.89 ALDH1A1 (0.57) HIF1AALDH1A1TSHRCASP1CASP7
SCHEMBL6314536 0.88 HIF1A (0.53) HIF1AALDH1A1TSHRCASP1CASP7
SCHEMBL6654992 0.88 ALDH1A1 (0.56) HIF1AALDH1A1TSHRCASP1CASP7
SCHEMBL6312411 0.87 MEN1 (0.51) HIF1AALDH1A1TSHRCASP1CASP7
SCHEMBL6311360 0.87 KMT2A (0.51) HIF1AALDH1A1TSHRCASP1CASP7

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 HIF1A 2992/4885ALDH1A1 2550/4885TSHR 4471/4885

“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.