SCHEMBL22402147

SCHEMBL22402147

CC(C)N1CCC2(CC1)Cc1cccnc1O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
HTR3A P46098 1/20 0.44
CYP2D6 P10635 1/20 0.39
HRH1 P35367 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
OTUD7B Q6GQQ9 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HSD11B1 P28845 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ACACB O00763 1/20 0.31
CXCR4 P61073 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
GAA P10253 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
SCHEMBL13162862 0.85 CHRNB2 (0.48) CHRNB2CHRNA7CHRNA4HTR3AHRH1
SCHEMBL25833604 0.81 CHRNB2 (0.44) CHRNB2CHRNA7CHRNA4HTR3AOTUD7B
SCHEMBL27452908 0.78 EPHX2 (0.40) CYP2D6HRH1IRAK4HRH3KDM4E
SCHEMBL21145503 0.77 CYP2D6 (0.46) CYP2D6IRAK4HRH3KCNH2HSD11B1
SCHEMBL24879253 0.76 IRAK4 (0.34) CYP2D6IRAK4HSD11B1
SCHEMBL29634730 0.75 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4HTR3ACYP2D6
SCHEMBL13161926 0.75 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4HTR3ACYP2D6
SCHEMBL9963313 0.73 HRH3 (0.52) CYP2D6HRH3KCNH2HSD11B1ADRA1D
SCHEMBL22520498 0.72 IRAK4 (0.37) CYP2D6IRAK4KDM4EMEN1KMT2A
SCHEMBL27452905 0.72 IRAK4 (0.37) CYP2D6IRAK4KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023282702-A1 SHP2 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-01-12 WO disclosed
US-11033547-B2 Carboxamide-pyrimidine derivatives as SHP2 antagonists MERCK PATENT GMBH (DE) 2021-06-15 US disclosed
EP-3772513-A1 SHP2 INHIBITORS C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) 2021-02-10 EP disclosed
US-20200281926-A1 CARBOXAMIDE-PYRIMIDINE DERIVATIVES AS SHP2 ANTAGONISTS MERCK PATENT GMBH (DE) 2020-09-10 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-11033547-B2 Carboxamide-pyrimidine derivatives as SHP2 antagonists PTPN5, PTPN2, PTPN1 CHRNB2 4401/4885CHRNA7 4418/4885CHRNA4 4526/4885
US-20200281926-A1 CARBOXAMIDE-PYRIMIDINE DERIVATIVES AS SHP2 ANTAGONISTS PTPN5, PTPN2, PTPN1 CHRNB2 4401/4885CHRNA7 4418/4885CHRNA4 4526/4885

“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.