SCHEMBL2535569

SCHEMBL2535569

CCC(C)OC(=O)C(=CNc1ccnn1Cc1ccccc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
STAT1 P42224 1/20 0.38
CTSK P43235 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
S1PR4 O95977 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADORA1 P30542 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CYP19A1 P11511 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL2794177 0.90 BTK (0.39) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL2531168 0.88 CTSK (0.38) LMNASTAT1CTSKTP53MAPT
SCHEMBL11791086 0.86 NPC1 (0.36) LMNASTAT1MAPTALDH1A1RAB9A
SCHEMBL10961090 0.84 SMN1; SMN2 (0.34) LMNASTAT1CTSKTP53MAPT
SCHEMBL10855247 0.84 CTSK (0.37) LMNASTAT1CTSKL3MBTL1SMN1; SMN2
SCHEMBL2535567 0.82 LMNA (0.56) LMNASTAT1MAPTMEN1KMT2A
SCHEMBL5257151 0.80 TSHR (0.35) LMNASTAT1TP53MAPTMEN1
SCHEMBL395325 0.76 DHODH (0.46) TP53MAPTALDH1A1MAPK1RAB9A
SCHEMBL4147861 0.76 GAA (0.43) LMNATP53MAPTMEN1KMT2A
SCHEMBL17963282 0.75 CTSK (0.39) CTSKMEN1KMT2AMAPK1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560974-B1 PYRRAZOLOPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-01-27 EP disclosed
US-8487102-B2 Pyrrazolopyridine compounds as dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
EP-2560974-A1 PYRRAZOLOPYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2013-02-27 EP disclosed
WO-2011131571-A1 PYRRAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-27 WO disclosed
US-20110257402-A1 PYRRAZOLOPYRIDINE COMPOUNDS AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 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-20110257402-A1 PYRRAZOLOPYRIDINE COMPOUNDS AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS TACR2, GRIN3A, TACR1 LMNA 4398/4885STAT1 3331/4885CTSK 1531/4885

“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.