SCHEMBL5201884

SCHEMBL5201884

CC(=O)c1c(C)cn(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
THRB P10828 2/20 0.37
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 2/20 0.34
POLB P06746 2/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL6968501 0.84 TP53 (0.32) KDM4EPOLBCYP2C9CYP2C19
SCHEMBL9959156 0.82 TP53 (0.40) KDM4ELMNASMN1; SMN2ALDH1A1HTT
SCHEMBL28280222 0.80 POLB (0.38) KDM4ELMNAALDH1A1NPC1POLB
SCHEMBL11142986 0.80 MEN1 (0.41) KDM4ETHRBLMNASMN1; SMN2ALDH1A1
SCHEMBL28514025 0.78 KDM4E (0.37) KDM4ETHRBLMNASMN1; SMN2ALDH1A1
SCHEMBL11379968 0.76 THRB (0.36) KDM4ETHRBLMNASMN1; SMN2ALDH1A1
SCHEMBL25645264 0.74 MAPT (0.43) KDM4ETHRBLMNASMN1; SMN2ALDH1A1
SCHEMBL2559494 0.71 CREBBP (0.44) KDM4ELMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL15996295 0.71 THRB (0.33) KDM4ETHRBLMNASMN1; SMN2ALDH1A1
SCHEMBL5350341 0.70 POLB (0.49) KDM4ELMNASMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262202-B2 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2007-08-28 US disclosed
US-20070185134-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2007-08-09 US disclosed
EP-1373253-B1 INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT CYCLACEL LTD (GB) 2007-06-20 EP disclosed
US-20040132746-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2004-07-08 US disclosed
EP-1373253-A1 INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT Cyclacel Limited (GB) 2004-01-02 EP disclosed
WO-2002079193-A1 INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT CYCLACEL LIMITED (GB) 2002-10-10 WO disclosed
EP-0291172-B1 KETONE DERIVATIVES GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed
US-5084474-A Antagonist of 5-hydroxytryptamine receptors on nerves and useful for treatment of psychotic disorders, anxiety, and nausea and vomiting, compounds of imidazole GLAXO GROUP LIMITED (GB) 1992-01-28 US disclosed
US-5019586-A 5-Hydroxytryptamine Receptor Antagonists GLAXO GROUP LIMITED 1991-05-28 US disclosed
US-4918080-A ANXIOLYTIC AGENTS, ANTIEMETICS GLAXO GROUP LIMITED (GB) 1990-04-17 US disclosed
EP-0291172-A1 Ketone derivatives GLAXO GROUP LIMITED (GB) 1988-11-17 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 (2 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-20070185134-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CDK2, CCNK, CDK3 KDM4E 689/4885THRB 4068/4885LMNA 1593/4885
US-20040132746-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CDK2, CCNK, CDK3 KDM4E 689/4885THRB 4068/4885LMNA 1593/4885

“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.