SCHEMBL6137089

SCHEMBL6137089

CCOC(=O)C1=C(C)NC(C)=C(C#N)C1c1cc(Cl)cc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.57
CACNA1C Q13936 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL3022545 0.87 ABCC1 (0.74) ABCC1CACNA1CCYP1A2CYP3A4CYP2C9
SCHEMBL7588425 0.85 ABCC1 (0.57) ABCC1CACNA1CCYP1A2CYP3A4CYP2C9
SCHEMBL6137184 0.80 CACNA1C (0.64) CACNA1CCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15026362 0.80 MAPT (0.54) ABCC1CACNA1CCYP1A2CYP3A4CYP2C9
SCHEMBL10894470 0.79 CACNA1C (0.62) CACNA1CCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7586726 0.78 CACNA1C (0.60) CACNA1CCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7585860 0.77 ADORA3 (0.72) CACNA1CCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7586763 0.77 CACNA1C (0.60) CACNA1CCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7590982 0.76 CACNA1F (0.80) CACNA1CCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8215604 0.75 ABCC1 (0.54) ABCC1CACNA1CCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372657-A4 A METHOD OF TREATING PROLIFERATIVE DISEASES USING EG5 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2005-11-09 EP disclosed
EP-1372657-A2 A METHOD OF TREATING PROLIFERATIVE DISEASES USING EG5 INHIBITORS Bristol-Myers Squibb Company (US) 2004-01-02 EP disclosed
US-20020165240-A1 Method of treating proliferative diseases using Eg5 inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-11-07 US disclosed
WO-2002078639-A2 A METHOD OF TREATING PROLIFERATIVE DISEASES USING EG5 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 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-20020165240-A1 Method of treating proliferative diseases using Eg5 inhibitors ARF5, PDS5A, GEMIN5 ABCC1 3467/4885CACNA1C 4688/4885CYP1A2 3956/4885

“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.