SCHEMBL21884590

SCHEMBL21884590

N#Cc1ccc(O)c(C(=O)NC(=N)N)c1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.46
CNR2 P34972 2/20 0.43
KIF11 P52732 1/20 0.40
P2RX1 P51575 2/20 0.39
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PPIA P62937 1/20 0.37
CTSK P43235 2/20 0.37
KCNH2 Q12809 2/20 0.37
ADORA1 P30542 2/20 0.36
BRAF P15056 1/20 0.36
CYP1A2 P05177 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CTSS P25774 1/20 0.36
CYP2C19 P33261 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
PLG P00747 1/20 0.36

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
SCHEMBL21884672 0.87 AR (0.41) ARKIF11P2RX1PPIATAS2R14
SCHEMBL21884651 0.86 AR (0.40) ARCNR2PPIAADORA1
SCHEMBL21884445 0.85 DHODH (0.43) ARP2RX1ADORA1XDH
SCHEMBL21884452 0.85 XDH (0.41) ARCNR2P2RX1ALDH1A1XDH
SCHEMBL21884514 0.84 AR (0.38) ARCNR2P2RX1ALDH1A1PPIA
SCHEMBL21884455 0.84 CNR2 (0.40) ARCNR2ALDH1A1PPIACYP1A2
SCHEMBL21884597 0.83 ALDH1A1 (0.37) ARCNR2MAPTALDH1A1PPIA
SCHEMBL21884361 0.82 PPIA (0.39) ARKIF11P2RX1PPIACYP3A4
SCHEMBL21884362 0.82 MRGPRX4 (0.38) ARP2RX1ALDH1A1PPIATAS2R14
SCHEMBL21884575 0.80 CNR2 (0.36) ARCNR2ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 US disclosed
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
WO-2020061473-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 WO 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-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 AR 3072/4885CNR2 2493/4885KIF11 2153/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 AR 4315/4885CNR2 4620/4885KIF11 3179/4885

“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.