SCHEMBL5456591

SCHEMBL5456591

CC(C)(C)c1ccc(C(=O)Nc2[nH]nc3c2CN(c2ccnc(N4CCOCC4)n2)C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 6/20 0.46
LMNA P02545 2/20 0.46
BRAF P15056 4/20 0.41
RAF1 P04049 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 2/20 0.40
ACACB O00763 2/20 0.39
KDM4E B2RXH2 1/20 0.38
STAT3 P40763 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
BTK Q06187 2/20 0.37
AURKA O14965 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
APAF1 O14727 1/20 0.37
HTT P42858 1/20 0.37

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 0.91 SMN1; SMN2 (0.42) GAAPOLBMAPTBRAFSMN1; SMN2
SCHEMBL5453843 0.90 RAB9A (0.46) MAPTLMNASMN1; SMN2ACACBSTAT3
SCHEMBL5451776 0.89 GAA (0.36) GAAPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL5454400 0.88 ACHE (0.39) GAAPOLBMAPTLMNABRAF
SCHEMBL5446059 0.87 AURKA (0.36) GAAPOLBMAPTBRAFSMN1; SMN2
SCHEMBL5456582 0.85 AURKA (0.52) GAAPOLBMAPTLMNABRAF
SCHEMBL5446940 0.82 TRPV1 (0.44) MAPTSMN1; SMN2NPC1RAB9AAURKA
SCHEMBL5454352 0.81 KMT2A (0.40) MAPTLMNABRAFRAF1SMN1; SMN2
SCHEMBL5449357 0.81 HRH4 (0.41) MAPTSMN1; SMN2NPC1RAB9ABTK
SCHEMBL5448161 0.81 NPC1 (0.49) MAPTLMNABRAFRAF1SMN1; SMN2

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 1342/4885POLB 611/4885MAPT 217/4885

“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.