SCHEMBL5477378

SCHEMBL5477378

CN1CCN(c2nccc(N3Cc4n[nH]c(Nc5ccc(F)cc5)c4C3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR2C P28335 6/20 0.45
HTR2A P28223 4/20 0.45
EGFR P00533 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
MAPKAPK2 P49137 1/20 0.38
ACHE P22303 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
SORD Q00796 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
BRD4 O60885 1/20 0.36
CDK2 P24941 2/20 0.36
CCNE1 P24864 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CCNA2 P20248 1/20 0.35

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
SCHEMBL6233662 0.82 HTR2C (0.40) HTR2CHTR2AEGFRAURKAACHE
SCHEMBL5453832 0.76 ALDH1A1 (0.43) HTR2CHTR2AACHECDK2CCNE1
SCHEMBL5451959 0.75 CDK2 (0.43) HTR2CHTR2AACHETRPV1CDK2
SCHEMBL5454354 0.75 SMN1; SMN2 (0.42) KMT2AAURKAACHESORD
SCHEMBL5453843 0.73 RAB9A (0.46) EGFRCDK2CCNE1
SCHEMBL6239038 0.72 DGAT1 (0.41) MEN1KMT2AACHE
SCHEMBL5451831 0.71 CDK2 (0.42) MEN1KMT2ACDK2CCNE1CCNA2
SCHEMBL5451386 0.70 FLT3 (0.43) MEN1KMT2A
SCHEMBL6236756 0.69 POLB (0.37)
SCHEMBL5452844 0.68 HTR1F (0.43) HTR2CHTR2ACDK2CCNA2CCNA1

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 1 patent. 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 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 MEN1 3150/4885BLM 2301/4885KMT2A 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.