SCHEMBL5454768

SCHEMBL5454768

CN1CCC(Oc2nccc(N3Cc4n[nH]c(NC(=O)c5cccc(Oc6ccccc6)c5)c4C3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.41
WNT1 P04628 6/20 0.40
GSK3B P49841 6/20 0.40
DYRK1A Q13627 6/20 0.40
MAPK14 Q16539 1/20 0.40
KDR P35968 1/20 0.40
PRKCB P05771 1/20 0.39
KIT P10721 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DGAT1 O75907 1/20 0.39
CYP3A4 P08684 1/20 0.39
SOAT1 P35610 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1F P30939 1/20 0.39
PAK4 O96013 1/20 0.38
ACACB O00763 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
SCHEMBL5454773 0.87 FLT3 (0.46) FLT3MAPK14PRKCBKITPAK4
SCHEMBL5451386 0.86 FLT3 (0.43) FLT3KDRPRKCBKITNPC1
SCHEMBL5448086 0.86 NPC1 (0.43) NPC1RAB9ASMN1; SMN2DGAT1CYP3A4
SCHEMBL5452844 0.84 HTR1F (0.43) FLT3MAPK14HTR1AHTR1FACACB
SCHEMBL5457234 0.84 MAPK14 (0.39) FLT3WNT1GSK3BDYRK1AMAPK14
SCHEMBL5451964 0.83 POLB (0.41) PRKCBNPC1RAB9ASMN1; SMN2DGAT1
SCHEMBL5449453 0.82 NPC1 (0.43) FLT3PRKCBNPC1RAB9ASMN1; SMN2
SCHEMBL5459485 0.81 IDH1 (0.43) NPC1RAB9ASMN1; SMN2
SCHEMBL5449478 0.81 DGAT1 (0.45) PRKCBNPC1RAB9ASMN1; SMN2DGAT1
SCHEMBL5448161 0.80 NPC1 (0.49) NPC1RAB9ASMN1; SMN2DGAT1CYP3A4

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 FLT3 720/4885WNT1 2835/4885GSK3B 387/4885

“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.