SCHEMBL340883

SCHEMBL340883

Cc1cc(Nc2nccs2)nc(N2C[C@@H](C3CCCCC3)C[C@@H](C(C)C(=O)O)C2)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.36
HCRTR2 O43614 4/20 0.36
ADORA2A P29274 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
GCK P35557 6/20 0.34
KDM4E B2RXH2 2/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
RBP4 P02753 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 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
SCHEMBL343150 1.00 HCRTR1 (0.36) HCRTR1HCRTR2ADORA2ASMN1; SMN2ALDH1A1
SCHEMBL343151 1.00 HCRTR1 (0.36) HCRTR1HCRTR2ADORA2ASMN1; SMN2ALDH1A1
SCHEMBL343316 0.86 KDM4E (0.43) HCRTR1HCRTR2ADORA2ASMN1; SMN2ALDH1A1
SCHEMBL343317 0.86 KDM4E (0.43) HCRTR1HCRTR2ADORA2ASMN1; SMN2ALDH1A1
SCHEMBL343315 0.86 KDM4E (0.43) HCRTR1HCRTR2ADORA2ASMN1; SMN2ALDH1A1
SCHEMBL342463 0.84 ADORA2A (0.38) HCRTR1HCRTR2ADORA2ASMN1; SMN2ALDH1A1
SCHEMBL342462 0.84 ADORA2A (0.38) HCRTR1HCRTR2ADORA2ASMN1; SMN2ALDH1A1
SCHEMBL342464 0.84 ADORA2A (0.38) HCRTR1HCRTR2ADORA2ASMN1; SMN2ALDH1A1
SCHEMBL10093474 0.84 ADORA2A (0.38) HCRTR1HCRTR2ADORA2ASMN1; SMN2ALDH1A1
SCHEMBL343006 0.83 ADORA2A (0.41) HCRTR1HCRTR2ADORA2ASMN1; SMN2ALDH1A1

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-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-01-19 US claimed
US-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-01-19 US 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-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION AURKA, AURKC, AURKB HCRTR1 619/4885HCRTR2 463/4885ADORA2A 685/4885

“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.