SCHEMBL6982

SCHEMBL6982

CCOC(=O)c1nn(-c2cccc(C)c2)c2c1CSc1ccccc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
CCNA2 P20248 2/20 0.46
CDK2 P24941 2/20 0.46
CCNA1 P78396 2/20 0.46
ALDH1A1 P00352 4/20 0.46
THRB P10828 1/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 4/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3R2 O00459 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43

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
SCHEMBL13165 0.91 ALDH1A1 (0.54) CCNA2CDK2CCNA1ALDH1A1THRB
SCHEMBL6648 0.91 ALDH1A1 (0.53) CCNA2CDK2CCNA1ALDH1A1THRB
SCHEMBL13201 0.90 ALDH1A1 (0.57) CCNA2CDK2CCNA1ALDH1A1THRB
SCHEMBL7946 0.90 THRB (0.44) POLBCCNA2CDK2CCNA1ALDH1A1
SCHEMBL13206 0.90 TP53 (0.47) CCNA2CDK2CCNA1ALDH1A1THRB
SCHEMBL14797 0.90 ALDH1A1 (0.49) CCNA2CDK2CCNA1ALDH1A1THRB
SCHEMBL7724 0.89 CCNA2 (0.57) CCNA2CDK2CCNA1ALDH1A1THRB
SCHEMBL12276342 0.89 ALDH1A1 (0.46) POLBCCNA2CDK2CCNA1ALDH1A1
SCHEMBL12794 0.89 THRB (0.43) POLBCCNA2CDK2CCNA1ALDH1A1
SCHEMBL12230920 0.87 POLB (0.54) POLBCCNA2CDK2CCNA1THRB

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 POLB 1156/4885CCNA2 1304/4885CDK2 160/4885

“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.