SCHEMBL17998799

SCHEMBL17998799

CC(C)c1cc(N2CCN(C)CC2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.57
GAA P10253 2/20 0.53
MEN1 O00255 1/20 0.53
GLA P06280 1/20 0.53
KMT2A Q03164 1/20 0.53
HTR3A P46098 2/20 0.47
ADRA2C P18825 1/20 0.45
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
PTK2B Q14289 1/20 0.42
DRD2 P14416 1/20 0.42
HTR6 P50406 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL10774082 0.86 HRH4 (0.51) HRH4MEN1KMT2AMAPT
SCHEMBL25697407 0.85 HRH4 (0.54) HRH4GAAMEN1KMT2AMAPT
SCHEMBL11960306 0.82 LRRK2 (0.45) HRH4HTTDRD2HRH3
SCHEMBL807537 0.82 CHEK1 (0.47) MEN1KMT2AKDM4EMAPTMAPK1
SCHEMBL22601447 0.80 CHEK1 (0.50) GAAMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL23114440 0.80 CDK1 (0.45) HRH4MAPT
SCHEMBL13027974 0.77 HRH4 (0.61) HRH4GAAMEN1GLAKMT2A
SCHEMBL25493009 0.76 HRH4 (0.68) HRH4GAAMEN1GLAKMT2A
SCHEMBL21807915 0.76 HRH4 (0.59) HRH4GAAMEN1GLAKMT2A
SCHEMBL31051504 0.76 HRH4 (0.59) HRH4GAAMEN1GLAKMT2A

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-9782405-B2 Heteroaryl pyridone and aza-pyrodine compounds GENENTECH, INC. (US) 2017-10-10 US disclosed
US-9782405-B2 Heteroaryl pyridone and aza-pyrodine compounds GENENTECH, INC. (US) 2017-10-10 US disclosed
US-20160228432-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2016-08-11 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-20160228432-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS TYK2, BTK, PDXK HRH4 714/4885GAA 3765/4885MEN1 2152/4885

“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.