SCHEMBL19296374

SCHEMBL19296374

CC(C)C(=O)Cc1cn(C[18F])nn1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
HDAC1 Q13547 9/20 0.35
KCNMA1 Q12791 1/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
ANPEP P15144 1/20 0.32
FOLH1 Q04609 1/20 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
SCHEMBL13542691 0.85 CYP1A2 (0.40) CYP1A2HDAC1KCNMA1ANPEP
SCHEMBL20362413 0.85 CYP1A2 (0.40) CYP1A2HDAC1KCNMA1ANPEP
SCHEMBL26501115 0.84 NAMPT (0.39) CYP1A2KCNMA1ANPEP
SCHEMBL23330459 0.83 NR1H4 (0.38) CYP1A2HDAC1
SCHEMBL13542693 0.81 NAMPT (0.41) CYP1A2ANPEPFOLH1
SCHEMBL27387051 0.80 GGPS1 (0.37) CYP1A2HDAC1
SCHEMBL2628205 0.80 FABP4 (0.37) HDAC1FOLH1
SCHEMBL19296375 0.78 CYP1A2 (0.41) CYP1A2
SCHEMBL24307793 0.78 HDAC1 (0.38) CYP1A2HDAC1FOLH1
SCHEMBL23772122 0.78 NR1H4 (0.35) CYP1A2HDAC1

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
US-20230295092-A1 18F - TAGGED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) AND THEIR USE AS IMAGING AGENTS FOR PROSTATE CANCER DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2023-09-21 US disclosed
US-20180194729-A1 18F - TAGGED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) AND THEIR USE AS IMAGING AGENTS FOR PROSTATE CANCER DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2018-07-12 US disclosed
US-10016519-B2 18F-tagged inhibitors of prostate specific membrane antigen (PSMA), their use as imaging agents and pharmaceutical agents for the treatment of prostate cancer DEUTSCHES KREBSFORSCHUNGSZENTRIUM (DE) 2018-07-10 US disclosed
US-20170246327-A1 18F-TAGGED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA), THEIR USE AS IMAGING AGENTS AND PHARMACEUTICAL AGENTS FOR THE TREATMENT OF PROSTATE CANCER Ruprecht-Karls-Universität Heidelberg (DE) 2017-08-31 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 (4 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-20180194729-A1 18F - TAGGED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) AND THEIR USE AS IMAGING AGENTS FOR PROSTATE CANCER KLK3, FOLH1, MPI CYP1A2 4695/4885HDAC1 1797/4885KCNMA1 2910/4885
US-10016519-B2 18F-tagged inhibitors of prostate specific membrane antigen (PSMA), their use as imaging agents and pharmaceutical agents for the treatment of prostate cancer KLK3, FOLH1, PSMA6 CYP1A2 4659/4885HDAC1 1884/4885KCNMA1 2941/4885
US-20230295092-A1 18F - TAGGED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) AND THEIR USE AS IMAGING AGENTS FOR PROSTATE CANCER KLK3, FOLH1, MPI CYP1A2 4695/4885HDAC1 1797/4885KCNMA1 2910/4885
US-20170246327-A1 18F-TAGGED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA), THEIR USE AS IMAGING AGENTS AND PHARMACEUTICAL AGENTS FOR THE TREATMENT OF PROSTATE CANCER KLK3, FOLH1, PSMA6 CYP1A2 4659/4885HDAC1 1884/4885KCNMA1 2941/4885

“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.