SCHEMBL2255451

SCHEMBL2255451

COC(=O)c1ccc(-c2ccc(-c3nc(C#N)c(C)nc3C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.47
WDR5 P61964 1/20 0.47
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 6/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
MAPK1 P28482 1/20 0.41
DHODH Q02127 1/20 0.41
HPGD P15428 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
CA7 P43166 1/20 0.39

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
SCHEMBL5535918 0.88 PLAU (0.50) MEN1KMT2ALMNACA12CA1
SCHEMBL5532391 0.81 DGAT1 (0.46) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL5531200 0.76 CHEK1 (0.54) ALDH1A1KDM4ELMNATDP1HSD17B10
SCHEMBL12360763 0.76 ERBB2 (0.54) MYCWDR5ALDH1A1KDM4EMAPT
SCHEMBL5533628 0.75 SYK (0.42) ALDH1A1KDM4EMAPK1DHODHHPGD
SCHEMBL30079151 0.74 CA1 (0.57) MYCWDR5ALDH1A1KDM4EMAPT
SCHEMBL5533583 0.74 CNR2 (0.40) ALDH1A1KDM4EMAPTLMNAPTPN1
Biphenyl Dimethyl Dicarboxylate SCHEMBL2890577 0.73 CA1 (0.67) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL16519646 0.73 ERBB2 (0.40) ALDH1A1KDM4EMAPTKMT2AGAA
SCHEMBL7401479 0.73 CA1 (0.53) MAPTTDP1CA12CA1CA2

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-2234978-B1 CARBAMOYL COMPOUNDS AS DGAT1 INHIBITORS 190 ASTRAZENECA AB (SE) 2015-02-25 EP disclosed
EP-2234978-B1 CARBAMOYL COMPOUNDS AS DGAT1 INHIBITORS 190 ASTRAZENECA AB (SE) 2015-02-25 EP disclosed
US-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-7994179-B2 Carbamoyl compounds as DGAT1 inhibitors 190 ASTRAZENECA AB (SE) 2011-08-09 US disclosed
US-7994179-B2 Carbamoyl compounds as DGAT1 inhibitors 190 ASTRAZENECA AB (SE) 2011-08-09 US disclosed
US-7994179-B2 Carbamoyl compounds as DGAT1 inhibitors 190 ASTRAZENECA AB (SE) 2011-08-09 US disclosed
EP-2234978-A1 CARBAMOYL COMPOUNDS AS DGAT1 INHIBITORS 190 AstraZeneca AB (SE) 2010-10-06 EP disclosed
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2009-12-03 US disclosed
WO-2009081195-A1 CARBAMOYL COMPOUNDS AS DGAT1 INHIBITORS 190 ASTRAZENECA AB (SE) 2009-07-02 WO disclosed
WO-2009081195-A1 CARBAMOYL COMPOUNDS AS DGAT1 INHIBITORS 190 ASTRAZENECA AB (SE) 2009-07-02 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 (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-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 MYC 2476/4885WDR5 3893/4885ALDH1A1 277/4885
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 MYC 2461/4885WDR5 3915/4885ALDH1A1 272/4885

“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.