SCHEMBL2528129

SCHEMBL2528129

CCOC(=O)c1cnc2c(cnn2Cc2ccccc2)c1Cl

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.63
ADORA1 P30542 6/20 0.56
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NR3C1 P04150 2/20 0.53
MEN1 O00255 1/20 0.53

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
SCHEMBL11724348 0.90 ADORA1 (0.57) PDE4BADORA1KMT2ANR3C1MEN1
SCHEMBL17963376 0.90 NR3C1 (0.61) PDE4BKMT2ASMN1; SMN2NR3C1MEN1
SCHEMBL587425 0.88 PDE4B (0.60) PDE4BADORA1KMT2ASMN1; SMN2NR3C1
SCHEMBL4341887 0.88 PDE4B (0.62) PDE4BADORA1KMT2ASMN1; SMN2
SCHEMBL17963171 0.87 NR3C1 (0.63) PDE4BADORA1KMT2ANR3C1MEN1
SCHEMBL6289931 0.86 PDE4B (0.70) PDE4BADORA1
SCHEMBL582528 0.86 PDE4B (0.65) PDE4BKMT2ANR3C1MEN1
SCHEMBL4339575 0.83 PDE4B (0.61) PDE4BKMT2ASMN1; SMN2NR3C1MEN1
SCHEMBL9838429 0.81 PDE4B (0.58) PDE4BKMT2A
SCHEMBL16343464 0.81 SMN1; SMN2 (0.55) PDE4BADORA1KMT2ASMN1; SMN2

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 PDE4B 2258/4885ADORA1 113/4885KMT2A 1230/4885

“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.