SCHEMBL6648

SCHEMBL6648

CCOC(=O)c1nn(-c2ccccc2)c2c1CSc1ccccc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 5/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TP53 P04637 5/20 0.50
CCNA2 P20248 2/20 0.49
CDK2 P24941 2/20 0.49
CCNA1 P78396 2/20 0.49
THRB P10828 1/20 0.49
MAPT P10636 4/20 0.48
ALOX12 P18054 2/20 0.48
APP P05067 1/20 0.47
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
ADORA1 P30542 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PDE4D Q08499 1/20 0.46

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 0.94 CCNA2 (0.57) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL14630 0.93 TP53 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL7334 0.92 TP53 (0.59) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL7951 0.92 MAPT (0.52) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL7025 0.92 CCNA2 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL6982 0.91 POLB (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19TP53
SCHEMBL7897 0.91 CCNA2 (0.59) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL14797 0.90 ALDH1A1 (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL12449804 0.90 CCNA2 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL8034 0.90 CCNA2 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E

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 10 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
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
EP-2499146-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES Merck Serono S.A. (CH) 2012-09-19 EP disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO 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 ALDH1A1 3185/4885CYP3A4 2235/4885CYP2C9 2284/4885

“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.