SCHEMBL7334

SCHEMBL7334

CCOC(=O)c1nn(-c2ccc(F)cc2)c2c1CSc1ccccc1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.59
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 1/20 0.59
HPGD P15428 1/20 0.59
NPSR1 Q6W5P4 1/20 0.55
MAPT P10636 4/20 0.53
CCNA2 P20248 2/20 0.48
CDK2 P24941 2/20 0.48
CCNA1 P78396 2/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
APP P05067 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
THRB P10828 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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 0.92 CCNA2 (0.57) TP53ALDH1A1KDM4EHPGDNPSR1
SCHEMBL6648 0.92 ALDH1A1 (0.53) TP53ALDH1A1KDM4EHPGDNPSR1
SCHEMBL7025 0.90 CCNA2 (0.48) TP53ALDH1A1KDM4EHPGDNPSR1
SCHEMBL7951 0.90 MAPT (0.52) TP53ALDH1A1KDM4EHPGDNPSR1
SCHEMBL13206 0.89 TP53 (0.47) TP53ALDH1A1KDM4EHPGDNPSR1
SCHEMBL14630 0.89 TP53 (0.48) TP53ALDH1A1KDM4EHPGDNPSR1
SCHEMBL7897 0.89 CCNA2 (0.59) TP53ALDH1A1KDM4EHPGDNPSR1
SCHEMBL7795 0.88 ALDH1A1 (0.55) TP53ALDH1A1KDM4EHPGDNPSR1
SCHEMBL8034 0.88 CCNA2 (0.47) TP53ALDH1A1KDM4EHPGDNPSR1
SCHEMBL13153 0.88 CCNA2 (0.47) TP53ALDH1A1KDM4EHPGDNPSR1

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 15 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
US-7211597-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2007-05-01 US disclosed
US-5886016-A ANTIINFLAMMATORY AGENT WITH MINIMAL SIDE EFFECTS FOR TREATING ARTHRITIS G.D. SEARLE & CO. (US) 1999-03-23 US disclosed
US-5670532-A Pyrazolyl derivatives for the treatment of inflammation G. D. SEARLE & CO. (US) 1997-09-23 US disclosed
US-5547975-A ANTIARTHRIC AGENTS, ANALGESICS AND ANTIPYRETICS; INHIBITORS OF CYCLOOXYGENASE II; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 1996-08-20 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 TP53 731/4885ALDH1A1 3185/4885KDM4E 1093/4885

“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.