SCHEMBL3728873

SCHEMBL3728873

CC(=O)c1[nH]c(C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.36
TLK2 Q86UE8 1/20 0.35
CA1 P00915 1/20 0.34
NPSR1 Q6W5P4 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 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
SCHEMBL23758516 0.83 ALDH1A1 (0.40) ALDH1A1MAPK1CA1NPSR1MEN1
SCHEMBL1044787 0.81 NOTUM (0.41) ALDH1A1MAPK1MEN1KMT2APKM
SCHEMBL17883332 0.79 ALDH1A1 (0.38) ALDH1A1MAPK1CA1NPSR1SMN1; SMN2
SCHEMBL11134520 0.79 KDM4E (0.41) CYP1A2CYP3A4ALDH1A1MAPK1CA1
SCHEMBL27429808 0.79 SMN1; SMN2 (0.41) CYP1A2CYP3A4ALDH1A1MAPK1CA1
SCHEMBL6622235 0.77 NOTUM (0.39) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL15979650 0.77 ALDH1A1 (0.41) ALDH1A1MAPK1CA1NPSR1MEN1
SCHEMBL18900601 0.76 GAA (0.38) ALDH1A1MAPK1CA1NPSR1MEN1
SCHEMBL23923776 0.76 ALDH1A1 (0.43) CYP1A2CYP3A4ALDH1A1CA1NPSR1
SCHEMBL18900599 0.74 ALDH1A1 (0.35) ALDH1A1MAPK1CA1NPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-20140349290-A1 PKD MUTATIONS AND EVALUATION OF SAME ATHENA DIAGNOSTICS, INC. (US) 2014-11-27 US disclosed
US-8895552-B2 Cyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-25 US disclosed
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-08-22 US disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 WO disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 CYP1A2 2656/4885CYP3A4 3031/4885ALDH1A1 3713/4885
US-20090215776-A1 Organic compounds REN, RXFP1, MYLK CYP1A2 616/4885CYP3A4 1053/4885ALDH1A1 884/4885
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE HDAC10, H1-10, H1-0 CYP1A2 75/4885CYP3A4 336/4885ALDH1A1 538/4885
US-20040132746-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CDK2, CCNK, CDK3 CYP1A2 2656/4885CYP3A4 3031/4885ALDH1A1 3713/4885

“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.