SCHEMBL5449357

SCHEMBL5449357

CC(C)Nc1nccc(N2Cc3n[nH]c(NC(=O)c4ccc(C(C)(C)C)cc4)c3C2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.41
F2 P00734 1/20 0.40
KMT2A Q03164 1/20 0.40
IDH1 O75874 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ALPL P05186 1/20 0.36
AURKA O14965 3/20 0.36
TP53 P04637 3/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
BTK Q06187 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL5456520 0.90 HRH4 (0.41) HRH4F2KMT2AIDH1SMN1; SMN2
SCHEMBL5454247 0.87 F2 (0.39) HRH4F2KMT2ASMN1; SMN2NPC1
SCHEMBL5449349 0.84 AURKA (0.51) HRH4F2KMT2AAURKA
SCHEMBL5454352 0.82 KMT2A (0.40) F2KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5454354 0.82 SMN1; SMN2 (0.42) F2KMT2ASMN1; SMN2RAB9AAURKA
SCHEMBL5459485 0.81 IDH1 (0.43) KMT2AIDH1SMN1; SMN2NPC1RAB9A
SCHEMBL5456591 0.81 GAA (0.47) SMN1; SMN2NPC1RAB9AAURKAMAPT
SCHEMBL5451776 0.80 GAA (0.36) F2KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5446940 0.79 TRPV1 (0.44) F2KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5454400 0.79 ACHE (0.39) F2KMT2ASMN1; SMN2AURKATP53

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 4 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
EP-1608364-A1 BICYCLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2005-12-28 EP disclosed
WO-2004080457-A1 BICYCLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2004-09-23 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-20070037790-A1 Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K15, MAP3K7, MAP3K19 HRH4 3846/4885F2 4351/4885KMT2A 2155/4885

“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.