SCHEMBL285196

SCHEMBL285196

N#CCc1csc(-c2ccnc3c2cnn3C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP1A2 P05177 1/20 0.33
SREBF2 Q12772 2/20 0.32
PIM1 P11309 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL285643 0.81 JAK2 (0.37) CYP17A1CYP1A2JAK2JAK3
SCHEMBL292289 0.73 FEN1 (0.41) CYP17A1CYP1A2PIM1JAK2JAK1
SCHEMBL2675096 0.69 PRKCQ (0.60) CYP17A1CYP1A2JAK2ALDH1A1
SCHEMBL10276910 0.68 PRKCQ (0.46) NUDT1JAK2
SCHEMBL285259 0.67 CYP17A1 (0.35) CYP17A1CYP1A2ALDH1A1
SCHEMBL5956817 0.67 NCF1 (0.39) CYP17A1CYP1A2MEN1KMT2AALDH1A1
SCHEMBL293663 0.67 AURKA (0.44) CYP17A1CYP1A2PIM1
SCHEMBL2226447 0.66 DRD2 (0.53) MAPTKMT2AL3MBTL1
SCHEMBL30668855 0.65 KDM4E (0.54) CYP1A2MEN1MAPTKMT2AALDH1A1
SCHEMBL285565 0.64 KDM4E (0.42) MAPTALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541445-B2 Pyrazolopyridines VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-24 US disclosed
US-8541445-B2 Pyrazolopyridines VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-24 US disclosed
US-8541445-B2 Pyrazolopyridines VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-24 US disclosed
US-20120178778-A1 PYRAZOLOPYRIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
US-20120178778-A1 PYRAZOLOPYRIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
US-20120178778-A1 PYRAZOLOPYRIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
EP-2427464-A1 PYRAZOLOPYRIDINES Vertex Pharmaceuticals Incorporated (US) 2012-03-14 EP disclosed
WO-2010129668-A1 PYRAZOLOPYRIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-11 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-20120178778-A1 PYRAZOLOPYRIDINES MAP3K5, MAP4K5, MAP3K20 NUDT1 872/4885CYP17A1 4238/4885CYP1A2 1502/4885

“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.