SCHEMBL21884464

SCHEMBL21884464

CNC(=N)NC(=O)c1c(O)ccc(C#N)c1-c1cccc(C#N)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPIA P62937 2/20 0.32
CXCR1 P25024 1/20 0.31
CXCR2 P25025 1/20 0.31
P2RX1 P51575 1/20 0.31
POLB P06746 1/20 0.31
PRKCQ Q04759 1/20 0.31
MAP4K1 Q92918 1/20 0.31
AR P10275 2/20 0.30
PDK2 Q15119 1/20 0.30

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
SCHEMBL21884409 0.91 PPIA (0.36) PPIAAR
SCHEMBL21884380 0.89 PGR (0.38) POLBAR
SCHEMBL21884379 0.87 PPIA (0.34) PPIAPOLBPRKCQMAP4K1AR
SCHEMBL21884360 0.87 MEN1 (0.33) PPIACXCR1CXCR2P2RX1PRKCQ
SCHEMBL21884467 0.84 PPIA (0.38) PPIAAR
SCHEMBL21884563 0.83 PPIA (0.37) PPIAAR
SCHEMBL21884474 0.81 PPIA (0.36) PPIAAR
SCHEMBL21884439 0.81 ALDH1A1 (0.36) PPIAPOLBAR
SCHEMBL21884381 0.80 XIAP (0.35) AR
SCHEMBL21884572 0.79 TAS1R3 (0.33) PPIAP2RX1

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 PPIA 1961/4885CXCR1 3460/4885CXCR2 2954/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 PPIA 2399/4885CXCR1 4448/4885CXCR2 3103/4885

“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.