SCHEMBL3103188

SCHEMBL3103188

CCOC(=O)c1sc(N)cc1CN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP7 P55210 1/20 0.48
CASP6 P55212 1/20 0.48
ALDH1A1 P00352 8/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 5/20 0.47
HSD17B10 Q99714 5/20 0.47
HPGD P15428 3/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 3/20 0.47
TSHR P16473 3/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 2/20 0.44
STAT3 P40763 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GLA P06280 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41

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 SCHEMBL9099032 0.77 GAA (0.50) CASP7ALDH1A1L3MBTL1KDM4EHSD17B10
SCHEMBL11619113 0.76 SMN1; SMN2 (0.55) ALDH1A1L3MBTL1KDM4EHSD17B10LMNA
SCHEMBL11620517 0.74 LMNA (0.47) ALDH1A1KDM4EHSD17B10GAALMNA
Hydrochloric Acid SCHEMBL9098740 0.73 L3MBTL1 (0.47) CASP7ALDH1A1L3MBTL1KDM4EHSD17B10
SCHEMBL244336 0.71 ALOX15 (0.58) CASP7ALDH1A1L3MBTL1KDM4EHSD17B10
SCHEMBL146852 0.71 TSHR (0.55) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL4255666 0.70 RAB9A (0.54) ALDH1A1KDM4EHSD17B10HPGDLMNA
Hydrochloric Acid SCHEMBL244320 0.70 ALOX15 (0.56) CASP7ALDH1A1L3MBTL1KDM4EHSD17B10
SCHEMBL7702489 0.69 MEN1 (0.47) ALDH1A1L3MBTL1KDM4EHSD17B10HPGD
SCHEMBL7699929 0.69 TSHR (0.47) ALDH1A1L3MBTL1KDM4EHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION 2010-09-30 US disclosed
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION 2010-09-30 US disclosed
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION 2010-09-30 US disclosed
CN-101772500-A Imidazopyrazines as protein kinase inhibitors SCHERING CORP 2010-07-07 CN disclosed
EP-2182986-A2 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION (US) 2010-05-12 EP disclosed
EP-2170892-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2010-04-07 EP disclosed
WO-2009017701-A2 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION (US) 2009-02-05 WO disclosed
WO-2009017701-A2 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION (US) 2009-02-05 WO disclosed
WO-2008156614-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-12-24 WO disclosed
WO-2008156614-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-12-24 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-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT AURKC, AURKA, AURKB CASP7 1171/4885CASP6 1433/4885ALDH1A1 2905/4885

“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.