SCHEMBL17896399

SCHEMBL17896399

CC(C)N1CCC(Cc2ccncc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.44
KCNH2 Q12809 2/20 0.44
CYP19A1 P11511 2/20 0.42
MAP4K4 O95819 1/20 0.42
SPR P35270 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
GRIN2B Q13224 5/20 0.39
ADRA2A P08913 4/20 0.39
HTR2A P28223 4/20 0.39
ADRA1A P35348 4/20 0.39
GRIN1 Q05586 4/20 0.39
SIGMAR1 Q99720 3/20 0.39
HTR2B P41595 3/20 0.39
GRIN2D O15399 2/20 0.39
HTR1A P08908 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2C Q14957 2/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.39
ADRB1 P08588 1/20 0.39

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
SCHEMBL21940839 0.90 HRH3 (0.54) HRH3KCNH2CYP19A1NPSR1GRIN2B
SCHEMBL24188507 0.87 CYP19A1 (0.47) HRH3KCNH2CYP19A1PKMLMNA
SCHEMBL18626519 0.84 MAP4K4 (0.38) KCNH2CYP19A1MAP4K4SPRNPSR1
SCHEMBL2603279 0.84 HRH3 (0.59) HRH3KCNH2GRIN2BADRA2AHTR2A
SCHEMBL17896405 0.82 CHRM2 (0.49) HRH3KCNH2MAP4K4SPR
SCHEMBL17888494 0.80 CHRM2 (0.48) HRH3CYP19A1MAP4K4SPR
SCHEMBL17896397 0.76 HRH3 (0.42) HRH3KCNH2MAP4K4NPSR1LMNA
SCHEMBL17886951 0.75 CYP19A1 (0.42) HRH3CYP19A1MAP4K4SPRNPSR1
SCHEMBL2603281 0.75 CARM1 (0.55) HRH3KCNH2GRIN2BADRA2AHTR2A
SCHEMBL8302436 0.75 CYP19A1 (0.53) HRH3CYP19A1

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 HRH3 400/4885KCNH2 1462/4885CYP19A1 319/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR HRH3 408/4885KCNH2 2994/4885CYP19A1 394/4885

“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.