SCHEMBL19001268

SCHEMBL19001268

CC(C)(C)NCCc1cn[nH]c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
NOS2 P35228 1/20 0.37
PDCD1LG2 Q9BQ51 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
KCNH2 Q12809 1/20 0.34
HAT1 O14929 1/20 0.34
EP300 Q09472 1/20 0.34
LMNA P02545 1/20 0.33
APEX1 P27695 1/20 0.33
PMP22 Q01453 1/20 0.33
ACACB O00763 1/20 0.32
PTGDR Q13258 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
PRKD3 O94806 1/20 0.31
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
BRAF P15056 1/20 0.31
PRKCA P17252 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
SCHEMBL21099036 0.89 HRH4 (0.44) HRH4HRH3NOS2PDCD1LG2CD274
SCHEMBL19935924 0.81 NOS2 (0.39) NOS2CD274KCNH2LMNAAPEX1
SCHEMBL12235364 0.79
SCHEMBL25593244 0.75 POLB (0.45) NOS2HAT1EP300
SCHEMBL21263656 0.75 NOS2 (0.44) NOS2KCNH2HAT1EP300LMNA
SCHEMBL9970752 0.75
SCHEMBL13412507 0.75 NOS2 (0.40) HRH3NOS2KCNH2LMNAAPEX1
SCHEMBL24581986 0.74 PDCD1LG2 (0.41) HRH4HRH3NOS2PDCD1LG2CD274
SCHEMBL14701556 0.74 NOS2 (0.44) HRH4HRH3NOS2PDCD1LG2CD274
SCHEMBL19001245 0.73 HRH4 (0.42) HRH4HRH3NOS2PDCD1LG2CD274

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 3 patents. 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
US-20180009784-A1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2018-01-11 US disclosed
US-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-22 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 (3 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 41/4885NOS2 1016/4885
US-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NAMPT, NQO2, NNMT HRH4 147/4885HRH3 244/4885NOS2 673/4885
US-20180009784-A1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF NAMPT, NQO2, NNMT HRH4 48/4885HRH3 41/4885NOS2 1016/4885

“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.