SCHEMBL7842

SCHEMBL7842

Cn1nc(C(=O)O)c2c1-c1cc([N+](=O)[O-])ccc1SC2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
TP53 P04637 7/20 0.49
LMNA P02545 2/20 0.48
PIK3CD O00329 1/20 0.46
PIK3R2 O00459 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
PIK3R5 Q8WYR1 1/20 0.46
PIK3R3 Q92569 1/20 0.46
THRB P10828 1/20 0.45
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 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
SCHEMBL7038 0.86 MAPT (0.52) MAPTTP53LMNATHRB
SCHEMBL8002 0.84 PIK3CD (0.67) MAPTTP53LMNAPIK3CDPIK3R2
SCHEMBL7894 0.84 PIK3CD (0.49) MAPTTP53LMNAPIK3CDPIK3R2
SCHEMBL7318 0.74 MEN1 (0.49) MAPTTP53PIK3CDPIK3R2PIK3CA
SCHEMBL12230919 0.73 MAPT (0.51) MAPTTP53PIK3CDPIK3R2PIK3CA
SCHEMBL7801 0.71 PIK3CD (0.69) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL2851292 0.68 L3MBTL1 (0.51) MAPTLMNAL3MBTL1KMT2A
SCHEMBL13854989 0.68 L3MBTL1 (0.61) MAPTLMNAL3MBTL1KMT2A
SCHEMBL3694723 0.68 L3MBTL1 (0.51) MAPTLMNAL3MBTL1KMT2A
SCHEMBL7918 0.67 MAPT (0.56) MAPTTP53LMNATHRB

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
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
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 MAPT 965/4885TP53 731/4885LMNA 4520/4885

“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.