SCHEMBL12275918

SCHEMBL12275918

CCOC(=O)c1nn(-c2ccccc2C(C)C)c2c1CSc1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.47
▸ TP53 P04637 6/20 0.47
▸ THRB P10828 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL7769 0.88 MAPT (0.48) MAPTTP53THRBALDH1A1NPSR1
SCHEMBL7364 0.86 PDE4B (0.49) MAPTTP53THRBALDH1A1NPSR1
SCHEMBL7955 0.86 THRB (0.46) MAPTTP53THRBALDH1A1NPSR1
SCHEMBL7515 0.86 NPSR1 (0.55) MAPTTP53THRBALDH1A1NPSR1
SCHEMBL14685 0.85 TP53 (0.49) MAPTTP53THRB
SCHEMBL8034 0.85 CCNA2 (0.47) MAPTTP53THRBALDH1A1NPSR1
SCHEMBL7723 0.85 THRB (0.45) MAPTTP53THRBALDH1A1NPSR1
SCHEMBL6648 0.84 ALDH1A1 (0.53) MAPTTP53THRBALDH1A1NPSR1
SCHEMBL7724 0.82 CCNA2 (0.57) MAPTTP53THRBALDH1A1NPSR1
SCHEMBL6929 0.82 PIK3CD (0.45) MAPTTP53THRBRAB9AL3MBTL1

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 8 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

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 MAPT 965/4885TP53 731/4885THRB 1646/4885

“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.

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