SCHEMBL7919

SCHEMBL7919

O=C(O)CCSc1ccncc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 7/20 0.56
ALDH1A1 P00352 4/20 0.44
KDM4C Q9H3R0 4/20 0.42
MAPT P10636 2/20 0.42
KDM6B O15054 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KDM4A O75164 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.40
APEX1 P27695 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
PRNP P04156 1/20 0.38
MAPK10 P53779 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CDC25B P30305 1/20 0.38

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
SCHEMBL16611699 0.80 HSD17B10 (0.49) SLC22A12ALDH1A1KDM4CMAPTKDM6B
Hydrochloric Acid SCHEMBL16612069 0.79 HSD17B10 (0.48) SLC22A12ALDH1A1KDM4CMAPTKDM6B
SCHEMBL4018089 0.77 CA12 (0.48) SLC22A12ALDH1A1KDM4CMAPTKDM6B
SCHEMBL1656950 0.77 POLB (0.52) SLC22A12ALDH1A1KDM4CMAPTKDM6B
SCHEMBL10469069 0.76 CA12 (0.57) ALDH1A1KDM4CMAPTKDM6BKDM4E
SCHEMBL21189320 0.76 CYP1A2 (0.68) ALDH1A1MAPTTHRBCYP1A2
SCHEMBL9850820 0.76 ALDH1A1 (0.60) SLC22A12ALDH1A1MAPTCYP1A2APEX1
SCHEMBL11504517 0.75 KDM4C (0.50) SLC22A12ALDH1A1KDM4CMAPTKDM6B
SCHEMBL3074800 0.74 KDM4C (0.49) SLC22A12ALDH1A1KDM4CMAPTKDM6B
SCHEMBL15738090 0.73 SLC22A12 (0.39) SLC22A12ALDH1A1KDM4CMAPTKDM6B

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 SLC22A12 2888/4885ALDH1A1 3185/4885KDM4C 1642/4885

“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.