SCHEMBL17896402

SCHEMBL17896402

CC(C)N1CCC(Cc2nccn2C)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.47
HRH3 Q9Y5N1 5/20 0.39
DCPS Q96C86 1/20 0.33
FDPS P14324 1/20 0.33
MC4R P32245 1/20 0.33
KAT2B Q92831 1/20 0.32
TSHR P16473 1/20 0.32
OPRK1 P41145 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SYK P43405 2/20 0.32

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
SCHEMBL18626478 0.92 MAP4K4 (0.49) MAP4K4MC4RKAT2B
SCHEMBL17896812 0.83 MAP4K4 (0.52) MAP4K4HRH3DCPSFDPSKAT2B
SCHEMBL12090434 0.78 MAP4K4 (0.54) MAP4K4HRH3FDPSKAT2BTSHR
SCHEMBL17896397 0.76 HRH3 (0.42) MAP4K4HRH3
SCHEMBL21078329 0.75 HRH3 (0.46) MAP4K4HRH3DCPSFDPSKAT2B
SCHEMBL13621199 0.74 MAP4K4 (0.47) MAP4K4HRH3DCPSFDPSKAT2B
SCHEMBL21178480 0.73 MAP4K4 (0.46) MAP4K4HRH3FDPSMEN1KMT2A
SCHEMBL20009033 0.72 ALDH1A1 (0.35) FDPSMC4RKAT2BTSHROPRK1
SCHEMBL17896383 0.72 MAP4K4 (0.49) MAP4K4DCPSFDPSKAT2BMEN1
SCHEMBL20009004 0.72 ALDH1A1 (0.35) FDPSMC4RKAT2BTSHROPRK1

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 MAP4K4 700/4885HRH3 400/4885DCPS 1797/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR MAP4K4 662/4885HRH3 408/4885DCPS 2471/4885

“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.