SCHEMBL17896377

SCHEMBL17896377

CC(C)(C)N1CCCC(Cc2cnccn2)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.47
KDM4E B2RXH2 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
VNN1 O95497 2/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.32
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 2/20 0.32
CDC42BPB Q9Y5S2 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
ATM Q13315 1/20 0.32
HTR6 P50406 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
SCHEMBL17896789 0.83 MAP4K4 (0.50) MAP4K4JAK2JAK1JAK3VNN1
SCHEMBL17896357 0.77 MAP4K4 (0.44) MAP4K4
SCHEMBL3507744 0.74 HRH4 (0.44) MAP4K4MAPTHTR6
SCHEMBL17896383 0.73 MAP4K4 (0.49) MAP4K4
SCHEMBL17886915 0.72 MAP4K4 (0.46) MAP4K4KDM4E
SCHEMBL21004260 0.72 MAP4K4 (0.46) MAP4K4KDM4E
SCHEMBL803470 0.72 MAP4K4 (0.35) MAP4K4JAK2JAK1JAK3VNN1
SCHEMBL803467 0.72 TNKS (0.38) MAP4K4KDM4EVNN1GAAATM
SCHEMBL25235377 0.72 MAP4K4 (0.40) MAP4K4JAK2JAK1JAK3VNN1
SCHEMBL13551814 0.70 CARM1 (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 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 (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-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR MAP4K4 662/4885KDM4E 1052/4885JAK2 143/4885

“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.