SCHEMBL17896405

SCHEMBL17896405

CC(C)N1CCC(Cc2cccnc2)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.49
CHRM1 P11229 2/20 0.49
CHRM3 P20309 2/20 0.49
CHRNA7 P36544 3/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
SPR P35270 1/20 0.46
MAP4K4 O95819 1/20 0.46
HRH3 Q9Y5N1 3/20 0.44
KCNH2 Q12809 1/20 0.43
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL12255644 0.92 CHRM2 (0.49) CHRM2CHRM1CHRM3CHRNA7CHRNB2
SCHEMBL12255642 0.92 HRH3 (0.52) CHRM2CHRM1CHRM3CHRNA7CHRNB2
SCHEMBL21214526 0.85 CHRM2 (0.44) CHRM2CHRM1CHRM3CHRNA7CHRNB2
SCHEMBL2743291 0.82 CHRM2 (0.68) CHRM2CHRM1CHRM3CHRNA7CHRNB2
SCHEMBL17896399 0.82 HRH3 (0.44) SPRMAP4K4HRH3KCNH2
SCHEMBL2603279 0.82 HRH3 (0.59) HRH3KCNH2
SCHEMBL21422750 0.81 CHRNA7 (0.51) CHRM2CHRM1CHRM3CHRNA7CHRNB2
SCHEMBL18626573 0.80 CHRNA7 (0.35) CHRM2CHRM1CHRM3CHRNA7CHRNB2
SCHEMBL16312222 0.78 CHRNA7 (0.51) CHRM2CHRM1CHRM3CHRNA7CHRNB2
SCHEMBL4402327 0.78 CHRM2 (0.62) CHRM2CHRM1CHRM3CHRNA7CHRNB2

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-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 CHRM2 2065/4885CHRM1 2112/4885CHRM3 2269/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR CHRM2 2785/4885CHRM1 2871/4885CHRM3 3507/4885

“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.