SCHEMBL9975188

SCHEMBL9975188

CCCOCC1COCO1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 4/20 0.53
TDP1 Q9NUW8 1/20 0.53
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.39
SPHK2 Q9NRA0 1/20 0.31
PDK1 Q15118 1/20 0.31

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
SCHEMBL1665375 0.89 SMN1; SMN2 (0.75) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL10337390 0.85 ALDH1A1 (0.77) SMN1; SMN2ALDH1A1TDP1TSHRSPHK2
SCHEMBL143771 0.85
Water SCHEMBL27814314 0.83
SCHEMBL14205384 0.81 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL4654896 0.81 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL16004916 0.81 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL16004796 0.81 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL23919095 0.81 TSHR (0.55) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL3371973 0.81 TSHR (0.52) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135319-A1 6-SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-15 US disclosed
US-20140135319-A1 6-SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-15 US disclosed
WO-2012080236-A1 6-SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 WO 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-20140135319-A1 6-SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS TK1, CDK1, CDKL1 SMN1; SMN2 1787/4885ALDH1A1 2008/4885TDP1 127/4885

“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.