SCHEMBL23902205

SCHEMBL23902205

COc1cc(C2=NCCN2C(C)C)ccc1OCc1cccc(COc2ccc(C3=NCCN3C(C)C)cc2OC)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.39
PTAFR P25105 1/20 0.39
MAPT P10636 4/20 0.38
PTGS2 P35354 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
XDH P47989 1/20 0.34
POLB P06746 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL23901890 0.89 PTGS2 (0.39) PTGS2NPC1RAB9AMRGPRX4
SCHEMBL23901896 0.87 PIK3CG (0.40) PIK3CGPTAFRMAPTPTGS2SMN1; SMN2
SCHEMBL23901797 0.85 TOP2A (0.42) PIK3CGPTAFRMAPTPTGS2SMN1; SMN2
SCHEMBL23902197 0.82 NPC1 (0.46) SMN1; SMN2NPC1RAB9A
SCHEMBL23901813 0.82 NPC1 (0.39) PIK3CGPTAFRMAPTSMN1; SMN2GAA
SCHEMBL23901888 0.76 PTGS2 (0.40) PTGS2SMN1; SMN2GAANPC1RAB9A
SCHEMBL23566307 0.75 NISCH (0.50) KDM4E
SCHEMBL23902324 0.74 TOP2A (0.43) PTGS2MRGPRX4
Hydrochloric Acid SCHEMBL23880715 0.74 NISCH (0.49) KDM4E
SCHEMBL23901804 0.73 RUVBL1 (0.44) PIK3CGMAPTGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-10-07 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 (1 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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS PAM, AMPD1, AMPD3 PIK3CG 3575/4885PTAFR 1165/4885MAPT 4279/4885

“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.