SCHEMBL5451776

SCHEMBL5451776

CC1CCN(c2nccc(N3Cc4n[nH]c(NC(=O)c5ccc(C(C)(C)C)cc5)c4C3)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
APAF1 O14727 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
F2 P00734 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
ACHE P22303 2/20 0.35
AURKA O14965 3/20 0.35
NPC1 O15118 1/20 0.35
ALPL P05186 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GBA1 P04062 2/20 0.35
ACACB O00763 1/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL5446059 0.91 AURKA (0.36) GAASMN1; SMN2KDM4EAPAF1MAPT
SCHEMBL5453832 0.91 ALDH1A1 (0.43) KDM4EPOLBACHEALDH1A1CCNE1
SCHEMBL5454354 0.90 SMN1; SMN2 (0.42) GAASMN1; SMN2APAF1MAPTHTT
SCHEMBL5456591 0.89 GAA (0.47) GAASMN1; SMN2KDM4EAPAF1MAPT
SCHEMBL5454400 0.87 ACHE (0.39) GAASMN1; SMN2APAF1MAPTHTT
SCHEMBL5451779 0.85 AURKA (0.49) AURKACDK2
SCHEMBL5454247 0.83 F2 (0.39) SMN1; SMN2F2KMT2AAURKANPC1
SCHEMBL5451964 0.82 POLB (0.41) SMN1; SMN2KDM4EMAPTHTTKMT2A
SCHEMBL5451831 0.81 CDK2 (0.42) SMN1; SMN2KDM4EHTTKMT2APOLB
SCHEMBL5446940 0.81 TRPV1 (0.44) SMN1; SMN2MAPTF2KMT2AAURKA

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 GAA 1342/4885SMN1; SMN2 2238/4885KDM4E 1597/4885

“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.