SCHEMBL5454400

SCHEMBL5454400

CC(C)(C)c1ccc(C(=O)Nc2[nH]nc3c2CN(c2ccnc(N4CCN(CCO)CC4)n2)C3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.39
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 3/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
DRD3 P35462 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
BTK Q06187 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
APAF1 O14727 1/20 0.35
FGFR1 P11362 2/20 0.35
F2 P00734 1/20 0.35
KMT2A Q03164 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
SCHEMBL5454354 0.92 SMN1; SMN2 (0.42) ACHEMAPTSMN1; SMN2GAAHTT
SCHEMBL5451959 0.90 CDK2 (0.43) ACHESMN1; SMN2HTTALDH1A1DRD2
SCHEMBL5446059 0.88 AURKA (0.36) MAPTSMN1; SMN2GAAHTTALDH1A1
SCHEMBL5456591 0.88 GAA (0.47) MAPTSMN1; SMN2GAAHTTALDH1A1
SCHEMBL5451776 0.87 GAA (0.36) ACHEMAPTSMN1; SMN2GAAHTT
SCHEMBL5454404 0.85 AURKA (0.49) CCNA2CDK2CCNA1AURKA
SCHEMBL5451912 0.82 ACHE (0.41) ACHEMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL5454352 0.81 KMT2A (0.40) MAPTSMN1; SMN2HTTLMNAMAPK1
SCHEMBL5446940 0.80 TRPV1 (0.44) MAPTSMN1; SMN2F2KMT2ATP53
SCHEMBL5449357 0.79 HRH4 (0.41) MAPTSMN1; SMN2BTKF2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037790-A1 Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-02-15 US claimed
US-20070037790-A1 Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-02-15 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-20070037790-A1 Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K15, MAP3K7, MAP3K19 ACHE 1379/4885MAPT 217/4885SMN1; SMN2 2238/4885

“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.