SCHEMBL7605

SCHEMBL7605

CCOC(=O)c1nn(C2CCCCC2)c2c1CSc1ccccc1-2

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
THRB P10828 1/20 0.46
MAPT P10636 5/20 0.46
TP53 P04637 4/20 0.46
KMT2A Q03164 1/20 0.44
OPRM1 P35372 3/20 0.43
OPRK1 P41145 3/20 0.43
OGFRL1 Q5TC84 3/20 0.43
OPRD1 P41143 2/20 0.43
ELANE P08246 1/20 0.41

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
SCHEMBL12449813 1.00 RAB9A (0.52) RAB9AL3MBTL1THRBMAPTTP53
SCHEMBL12449808 0.99 RAB9A (0.50) RAB9AL3MBTL1THRBMAPTTP53
SCHEMBL12276443 0.91 KMT2A (0.52) RAB9AL3MBTL1THRBMAPTTP53
SCHEMBL13101 0.91 THRB (0.46) RAB9AL3MBTL1THRBMAPTTP53
SCHEMBL14811 0.91 PIK3CD (0.44) RAB9AL3MBTL1THRBMAPTTP53
SCHEMBL8591 0.90 TP53 (0.47) RAB9AL3MBTL1THRBMAPTTP53
SCHEMBL8490 0.90 THRB (0.45) RAB9AL3MBTL1THRBMAPTTP53
SCHEMBL12275497 0.89 PIK3CD (0.45) RAB9AL3MBTL1THRBMAPTTP53
SCHEMBL12275803 0.89 THRB (0.44) RAB9AL3MBTL1THRBMAPTTP53
SCHEMBL12449822 0.89 PIK3CD (0.44) RAB9AL3MBTL1THRBMAPTTP53

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 11 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
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 RAB9A 1288/4885L3MBTL1 4614/4885THRB 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.