SCHEMBL5451912

SCHEMBL5451912

O=C(Nc1[nH]nc2c1CN(c1ccnc(N3CCN(CCO)CC3)n1)C2)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.41
DRD4 P21917 5/20 0.41
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
DGAT1 O75907 1/20 0.38
CYP3A4 P08684 1/20 0.38
SOAT1 P35610 1/20 0.38
DRD2 P14416 1/20 0.37
PAK4 O96013 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL5451386 0.92 FLT3 (0.43) DRD4FLT1KDRNPC1RAB9A
SCHEMBL5449478 0.89 DGAT1 (0.45) NPC1RAB9ASMN1; SMN2KMT2ADGAT1
SCHEMBL5448161 0.89 NPC1 (0.49) FGFR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5451964 0.87 POLB (0.41) ACHENPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5451914 0.87 PAK4 (0.42) ACHEDRD4PDGFRBFGFR1PDGFRA
SCHEMBL5451959 0.83 CDK2 (0.43) ACHEDRD4SMN1; SMN2DRD2ALDH1A1
SCHEMBL5448086 0.82 NPC1 (0.43) DRD4NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5454400 0.82 ACHE (0.39) ACHEPDGFRBFGFR1PDGFRAFLT1
SCHEMBL5449453 0.80 NPC1 (0.43) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL5459485 0.80 IDH1 (0.43) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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 ACHE 1379/4885DRD4 4604/4885PDGFRB 1847/4885

“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.