SCHEMBL21884445

SCHEMBL21884445

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.43
AR P10275 1/20 0.41
ADORA1 P30542 2/20 0.38
DHFR P00374 2/20 0.38
XDH P47989 1/20 0.38
CSNK1E P49674 3/20 0.38
P2RX1 P51575 1/20 0.38
ADORA2A P29274 1/20 0.37
USP30 Q70CQ3 1/20 0.36
KDM5A P29375 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL21884671 0.87 ALDH1A1 (0.42) AR
SCHEMBL21884590 0.85 AR (0.46) ARADORA1XDHP2RX1
SCHEMBL21884651 0.83 AR (0.40) ARADORA1CSNK1E
SCHEMBL21884452 0.82 XDH (0.41) ARXDHCSNK1EP2RX1
SCHEMBL21884455 0.81 CNR2 (0.40) AR
SCHEMBL21884514 0.81 AR (0.38) ARADORA1P2RX1ADORA2A
SCHEMBL21884597 0.81 ALDH1A1 (0.37) ARADORA2A
SCHEMBL21884449 0.80 RORC (0.38) DHODHAR
SCHEMBL21884672 0.78 AR (0.41) ARP2RX1
SCHEMBL21884575 0.78 CNR2 (0.36) ARADORA1

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 DHODH 858/4885AR 3072/4885ADORA1 417/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 DHODH 2625/4885AR 4315/4885ADORA1 4845/4885

“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.