SCHEMBL17896397

SCHEMBL17896397

CC(C)N1CCC(Cc2ncccn2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.42
MAP4K4 O95819 2/20 0.41
PDE9A O76083 1/20 0.38
KCNH2 Q12809 1/20 0.36
CXCR4 P61073 2/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL19008170 0.91 MAP4K4 (0.44) MAP4K4KCNH2CXCR4CYP2D6
SCHEMBL18626520 0.86 MAP4K4 (0.39) HRH3MAP4K4PDE9AALDH1A1LMNA
SCHEMBL19016231 0.82 MAP4K4 (0.46) HRH3MAP4K4KCNH2LMNASMN1; SMN2
SCHEMBL12090335 0.80 MAP4K4 (0.45) HRH3MAP4K4KCNH2CYP2D6
SCHEMBL17896399 0.76 HRH3 (0.44) HRH3MAP4K4KCNH2LMNANPSR1
SCHEMBL17896402 0.76 MAP4K4 (0.47) HRH3MAP4K4
SCHEMBL2603279 0.75 HRH3 (0.59) HRH3KCNH2LMNACYP2D6
SCHEMBL17896405 0.75 CHRM2 (0.49) HRH3MAP4K4KCNH2
SCHEMBL13162857 0.74 HRH3 (0.47) HRH3MAP4K4
SCHEMBL25103813 0.74 HRH3 (0.39) HRH3ALDH1A1

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 400/4885MAP4K4 700/4885PDE9A 3326/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR HRH3 408/4885MAP4K4 662/4885PDE9A 2209/4885

“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.