SCHEMBL5448161

SCHEMBL5448161

O=C(Nc1[nH]nc2c1CN(c1ccnc(N3CCOCC3)n1)C2)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
KMT2A Q03164 2/20 0.49
NTRK1 P04629 1/20 0.47
MAPK13 O15264 1/20 0.42
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ATM Q13315 1/20 0.40
RAB9A P51151 1/20 0.40
RAF1 P04049 2/20 0.40
BRAF P15056 1/20 0.40
CSF1R P07333 1/20 0.40
DAPK1 P53355 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.39
DGAT1 O75907 2/20 0.39
PIK3CA P42336 1/20 0.38
MEN1 O00255 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
SCHEMBL5451386 0.91 FLT3 (0.43) NPC1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL5451964 0.89 POLB (0.41) NPC1KMT2ASMN1; SMN2RAB9AMAPT
SCHEMBL5451912 0.89 ACHE (0.41) NPC1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL5449478 0.88 DGAT1 (0.45) NPC1KMT2ASMN1; SMN2RAB9ADGAT1
SCHEMBL5448155 0.86 NPC1 (0.49) NPC1KMT2ANTRK1MAPK13ALDH1A1
SCHEMBL6239038 0.85 DGAT1 (0.41) KMT2AALDH1A1LMNAMAPTDGAT1
SCHEMBL5448086 0.83 NPC1 (0.43) NPC1KMT2ASMN1; SMN2RAB9ALMNA
SCHEMBL5459485 0.82 IDH1 (0.43) NPC1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL5449453 0.82 NPC1 (0.43) NPC1KMT2ASMN1; SMN2RAB9ADGAT1
SCHEMBL5453843 0.82 RAB9A (0.46) NPC1SMN1; SMN2RAB9ALMNAMAPT

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 NPC1 2974/4885KMT2A 2155/4885NTRK1 1524/4885

“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.