SCHEMBL7897

SCHEMBL7897

CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CSc1ccccc1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.59
CDK2 P24941 2/20 0.59
CCNA1 P78396 2/20 0.59
F10 P00742 3/20 0.49
F2 P00734 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
APP P05067 2/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
ADORA1 P30542 1/20 0.47
CASP6 P55212 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PDE4D Q08499 1/20 0.47
TP53 P04637 4/20 0.46
HPGD P15428 1/20 0.46
THRB P10828 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL7724 0.91 CCNA2 (0.57) CCNA2CDK2CCNA1ALDH1A1MAPT
SCHEMBL6648 0.91 ALDH1A1 (0.53) CCNA2CDK2CCNA1ALDH1A1MAPT
SCHEMBL13201 0.90 ALDH1A1 (0.57) CCNA2CDK2CCNA1ALDH1A1MAPT
SCHEMBL7951 0.89 MAPT (0.52) CCNA2CDK2CCNA1ALDH1A1MAPT
SCHEMBL7334 0.89 TP53 (0.59) CCNA2CDK2CCNA1ALDH1A1MAPT
SCHEMBL7025 0.89 CCNA2 (0.48) CCNA2CDK2CCNA1SMN1; SMN2ALDH1A1
SCHEMBL13063 0.89 CCNA2 (0.53) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL14730 0.89 CCNA2 (0.53) CCNA2CDK2CCNA1ALDH1A1MAPT
SCHEMBL14630 0.88 TP53 (0.48) CCNA2CDK2CCNA1ALDH1A1MAPT
SCHEMBL8034 0.87 CCNA2 (0.47) CCNA2CDK2CCNA1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA CCNA2 1304/4885CDK2 160/4885CCNA1 1060/4885

“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.