SCHEMBL4477599

SCHEMBL4477599

CC1(C)c2n[nH]c(NC(=O)c3ccccc3F)c2CN1C(=O)Cc1cccs1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
PAK4 O96013 1/20 0.42
KDM4E B2RXH2 2/20 0.40
AURKA O14965 2/20 0.40
PRKCB P05771 2/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 2/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
PLK1 P53350 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
GLA P06280 1/20 0.35

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
SCHEMBL2915174 0.87 AURKA (0.47) PAK4AURKAABL1BCRPLK1
SCHEMBL4477603 0.84 PAK4 (0.59) PAK4AURKAPRKCB
SCHEMBL2922176 0.83 AURKA (0.40) HPGDAURKAPRKCBRAB9ANPC1
SCHEMBL2915170 0.83 AURKA (0.59) AURKAABL1BCRPLK1KMT2A
SCHEMBL2924215 0.82 JAK1 (0.41) HPGDKDM4EAURKAPRKCBRAB9A
SCHEMBL2913493 0.79 MAPK8 (0.44) HPGDGAASMN1; SMN2KMT2APOLB
SCHEMBL1983922 0.74 NTRK1 (0.47) PAK4
SCHEMBL2919860 0.74 NTRK1 (0.49) PAK4AURKA
SCHEMBL2915169 0.73 AURKA (0.40) HPGDPAK4KDM4EAURKARAB9A
SCHEMBL1984697 0.72 NTRK1 (0.52) AURKAABL1BCRPLK1

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-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed
US-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 US disclosed
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2003-09-11 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-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 HPGD 1882/4885PAK4 259/4885KDM4E 2358/4885

“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.