SCHEMBL17896388

SCHEMBL17896388

CC(C)(C)N1CCCC(c2ncc[nH]2)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.44
ADRA1A P35348 6/20 0.40
LRRK2 Q5S007 1/20 0.37
HTR2B P41595 5/20 0.36
ADRA2A P08913 3/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1B P35368 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
CDC42BPA Q5VT25 1/20 0.31
CDC42BPB Q9Y5S2 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
SCHEMBL21923172 0.80 MAP4K4 (0.46) MAP4K4ADRA1ALRRK2HTR2BADRA2A
SCHEMBL9761882 0.80 MAP4K4 (0.46) MAP4K4ADRA1ALRRK2HTR2BADRA2A
SCHEMBL15551483 0.75 HPGDS (0.54) HTR2B
SCHEMBL15550395 0.73 HTR2B (0.50) MAP4K4ADRA1ALRRK2HTR2B
SCHEMBL10845973 0.73 MAP4K4 (0.42) MAP4K4ADRA1ALRRK2HTR2BADRA2A
SCHEMBL1494449 0.73
SCHEMBL184451 0.73 ADRA1A (0.55) MAP4K4ADRA1AHTR2BADRA2AADRA1D
SCHEMBL1133528 0.71 ADRA1A (0.53) MAP4K4ADRA1AHTR2BADRA2AADRA1D
SCHEMBL7856564 0.71 ADRA1A (0.53) MAP4K4ADRA1AHTR2BADRA2AADRA1D
SCHEMBL724530 0.71 ADRA1A (0.53) MAP4K4ADRA1AHTR2BADRA2AADRA1D

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 6 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-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 MAP4K4 700/4885ADRA1A 1749/4885LRRK2 1376/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR MAP4K4 662/4885ADRA1A 1143/4885LRRK2 1952/4885

“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.