SCHEMBL292289

SCHEMBL292289

N#CCn1cc(-c2ccnc3c2cnn3C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 2/20 0.41
GRM4 Q14833 8/20 0.35
HTR2B P41595 1/20 0.35
MTNR1A P48039 1/20 0.35
KCNH2 Q12809 1/20 0.35
PIM1 P11309 2/20 0.34
PIM3 Q86V86 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
CYP17A1 P05093 1/20 0.34
CYP1A2 P05177 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 1/20 0.33
PIK3CG P48736 1/20 0.33
JAK2 O60674 3/20 0.31
JAK1 P23458 3/20 0.31
JAK3 P52333 2/20 0.31
TYK2 P29597 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL2675096 0.74 PRKCQ (0.60) GRM4CYP17A1CYP1A2JAK2KDM4E
SCHEMBL293663 0.73 AURKA (0.44) PIM1CYP17A1CYP1A2
SCHEMBL10311247 0.69 NUDT1 (0.48) FEN1GRM4JAK2JAK1JAK3
SCHEMBL17873659 0.69 L3MBTL1 (0.59) FEN1KCNH2JAK2JAK1JAK3
SCHEMBL5956817 0.69 NCF1 (0.39) CYP17A1CYP1A2KDM4EALDH1A1CLK4
SCHEMBL285259 0.69 CYP17A1 (0.35) CYP17A1CYP1A2KDM4EALDH1A1HPGD
SCHEMBL285643 0.68 JAK2 (0.37) CYP17A1CYP1A2JAK2JAK3PRKCQ
SCHEMBL15924968 0.66 FEN1 (0.53) FEN1KCNH2JAK2JAK1JAK3
SCHEMBL285565 0.66 KDM4E (0.42) KDM4EALDH1A1CLK4
SCHEMBL285234 0.64 MAP2K1 (0.46) PIM1KDM4EALDH1A1HPGDCLK4

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 FEN1 3397/4885GRM4 3556/4885HTR2B 3705/4885

“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.