SCHEMBL3676938

SCHEMBL3676938

Cc1cc(Nc2cc(N3CC[C@H](F)C3)cc(Cl)n2)[nH]n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 3/20 0.34
PAK1 Q13153 3/20 0.34
HRH4 Q9H3N8 5/20 0.34
RET P07949 1/20 0.33
IGF1R P08069 2/20 0.32
LMNA P02545 1/20 0.32
GRM4 Q14833 5/20 0.32
CHRM3 P20309 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 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
SCHEMBL3676940 1.00 PAK4 (0.34) PAK4PAK1HRH4RETIGF1R
SCHEMBL3764358 0.80
SCHEMBL3643662 0.76 MAP3K12 (0.40)
SCHEMBL3643663 0.76 MAP3K12 (0.40)
SCHEMBL3638839 0.75 CHRM3 (0.41) HRH4CHRM3PDE4APDE4BPDE4C
SCHEMBL3638836 0.75 CHRM3 (0.41) HRH4CHRM3PDE4APDE4BPDE4C
SCHEMBL3673996 0.74 AURKA (0.46) PAK4PAK1RETIGF1R
SCHEMBL3673997 0.74 AURKA (0.46) PAK4PAK1RETIGF1R
SCHEMBL3670127 0.71 GRM4 (0.37) PAK4PAK1GRM4
SCHEMBL3670128 0.71 GRM4 (0.37) PAK4PAK1GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110060013-A1 THIAZOLES AND PYRAZOLES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
EP-2164842-A2 THIAZOLES AND PYRAZOLES USEFUL AS KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2010-03-24 EP disclosed
WO-2008147626-A2 THIAZOLES AND PYRAZOLES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-12-04 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-20110060013-A1 THIAZOLES AND PYRAZOLES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB PAK4 237/4885PAK1 74/4885HRH4 2898/4885

“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.