SCHEMBL21099036

SCHEMBL21099036

CC(C)(C)NCCCc1cn[nH]c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
NAMPT P43490 2/20 0.36
NOS2 P35228 1/20 0.35
AKT2 P31751 1/20 0.35
HRH2 P25021 1/20 0.34
ROCK2 O75116 1/20 0.33
KCNH2 Q12809 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
LMNA P02545 1/20 0.31
APEX1 P27695 1/20 0.31
PMP22 Q01453 1/20 0.31

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
SCHEMBL19001268 0.89 HRH4 (0.39) HRH4HRH3NOS2KCNH2PDCD1LG2
SCHEMBL19001245 0.81 HRH4 (0.42) HRH4HRH3NAMPTNOS2AKT2
SCHEMBL19001267 0.80 HRH4 (0.34) HRH4HRH3NAMPTHRH2
SCHEMBL17950152 0.80 MEN1 (0.46) HRH4HRH3NAMPTNOS2AKT2
SCHEMBL19935924 0.78 NOS2 (0.39) NAMPTNOS2KCNH2CD274LMNA
SCHEMBL22212352 0.77 AKT2 (0.41) NAMPTNOS2AKT2HRH2ROCK2
SCHEMBL20747247 0.77 NAMPT (0.38) NAMPTNOS2AKT2HRH2ROCK2
SCHEMBL24866428 0.75 AKT2 (0.44) NAMPTNOS2AKT2HRH2KCNH2
SCHEMBL4630135 0.74
SCHEMBL21263656 0.72 NOS2 (0.44) NOS2AKT2KCNH2LMNAAPEX1

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-10323018-B2 Quinazoline and quinoline compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-06-18 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-10323018-B2 Quinazoline and quinoline compounds and uses thereof NAMPT, NQO2, NNMT HRH4 48/4885HRH3 41/4885NAMPT 1/4885

“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.