SCHEMBL17896406

SCHEMBL17896406

Cc1cccc(CC2CCN(C(C)C)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.38
KCNH2 Q12809 1/20 0.38
KMT2A Q03164 3/20 0.38
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
PDE8B O95263 1/20 0.35
MAPT P10636 1/20 0.35
PDE2A O00408 1/20 0.35
KDM4E B2RXH2 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
MEN1 O00255 2/20 0.34
PDE10A Q9Y233 1/20 0.34
PARP1 P09874 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL17896808 0.82 HTR3E (0.41) KCNH2KMT2AMAPTPDE2ABCHE
SCHEMBL18626518 0.82 HRH3 (0.32) HRH3PDE8B
SCHEMBL19016231 0.79 MAP4K4 (0.46) HRH3KCNH2KDM4ESMN1; SMN2
SCHEMBL17896868 0.77 KCNH2 (0.41) HRH3KCNH2KMT2AMAPTPDE2A
SCHEMBL24186364 0.77 KDM1A (0.43) KMT2APDE8BMAPTPDE2ABCHE
SCHEMBL18135270 0.75 MAP4K4 (0.48) HRH3KCNH2TLR9TLR8TLR7
SCHEMBL2603279 0.73 HRH3 (0.59) HRH3KCNH2
SCHEMBL17896397 0.72 HRH3 (0.42) HRH3KCNH2SMN1; SMN2NPSR1
SCHEMBL2490313 0.71 HRH3 (0.45) HRH3KCNH2KDM4ESMN1; SMN2
SCHEMBL21608548 0.71 KDM1A (0.35) HRH3KCNH2MAPTKDM4EKDM1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9855269-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2018-01-02 US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 US disclosed
US-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 US disclosed
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2016-10-13 US disclosed
US-9382241-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2016-07-05 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 (2 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-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES DPYD, FANCD2, RECQL HRH3 400/4885KCNH2 1462/4885KMT2A 437/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR HRH3 408/4885KCNH2 2994/4885KMT2A 1463/4885

“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.