SCHEMBL5451386

SCHEMBL5451386

CN1CCN(c2nccc(N3Cc4n[nH]c(NC(=O)c5cccc(Oc6ccccc6)c5)c4C3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 7/20 0.43
KIT P10721 4/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PRKCB P05771 1/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
ESR2 Q92731 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
PAK4 O96013 1/20 0.40
MEN1 O00255 1/20 0.40
DRD4 P21917 1/20 0.39
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL5451912 0.92 ACHE (0.41) NPC1RAB9ASMN1; SMN2PRKCBKMT2A
SCHEMBL5451964 0.91 POLB (0.41) NPC1RAB9ASMN1; SMN2PRKCBKMT2A
SCHEMBL5448161 0.91 NPC1 (0.49) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL5449478 0.88 DGAT1 (0.45) NPC1RAB9ASMN1; SMN2PRKCBKMT2A
SCHEMBL5451389 0.86 FLT3 (0.49) FLT3KITPRKCBPAK4FLT1
SCHEMBL5454768 0.86 FLT3 (0.41) FLT3KITNPC1RAB9ASMN1; SMN2
SCHEMBL6233662 0.85 HTR2C (0.40)
SCHEMBL5448086 0.84 NPC1 (0.43) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL5459485 0.84 IDH1 (0.43) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL5449453 0.82 NPC1 (0.43) FLT3NPC1RAB9ASMN1; SMN2PRKCB

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 FLT3 720/4885KIT 2681/4885NPC1 2974/4885

“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.