SCHEMBL13214

SCHEMBL13214

CCOC(=O)C(=O)C1CSc2ccc(F)cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
PTPN1 P18031 1/20 0.36
HTT P42858 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
NOTUM Q6P988 1/20 0.34
HTR2B P41595 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL13212 0.91 MAPT (0.39) KDM4ESMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4728124 0.86 KDM4E (0.45) KDM4ESMN1; SMN2MAPTMEN1KMT2A
SCHEMBL14714 0.85 PPARG (0.41) KDM4ESMN1; SMN2MAPTMEN1KMT2A
SCHEMBL9522559 0.85 KDM4E (0.44) KDM4ESMN1; SMN2MAPTMEN1KMT2A
SCHEMBL30460538 0.83 ALDH1A1 (0.41) KDM4EMAPTMEN1KMT2AHPGD
SCHEMBL7554 0.83 ALDH1A1 (0.41) KDM4EMAPTMEN1KMT2AHPGD
SCHEMBL24189203 0.81 KDM4E (0.41) KDM4ESMN1; SMN2MAPTMEN1KMT2A
SCHEMBL30308393 0.81 KDM4E (0.41) KDM4ESMN1; SMN2MAPTMEN1KMT2A
SCHEMBL27285905 0.80 KDM4E (0.38) KDM4ESMN1; SMN2MAPTMEN1KMT2A
SCHEMBL12903 0.80 ALDH1A1 (0.39) KDM4ESMN1; SMN2MAPTMEN1KMT2A

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 KDM4E 1093/4885SMN1; SMN2 2692/4885MAPT 965/4885

“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.