SCHEMBL21884471

SCHEMBL21884471

N=C(N)NC(=O)c1cc(-c2ccncc2)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 4/20 0.66
QDPR P09417 1/20 0.47
ERN1 O75460 1/20 0.44
HDAC1 Q13547 2/20 0.43
KCNMA1 Q12791 1/20 0.43
PKMYT1 Q99640 2/20 0.41
MCL1 Q07820 2/20 0.41
ACMSD Q8TDX5 2/20 0.41
DHFR P00374 1/20 0.41
HNF4A P41235 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CDC7 O00311 2/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40
GSK3B P49841 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
CDK9 P50750 1/20 0.40
CAPN1 P07384 1/20 0.40
IKBKB O14920 3/20 0.40

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
SCHEMBL21884408 0.84 MKNK1 (0.58) CHUKERN1HDAC1KCNMA1MKNK2
SCHEMBL21884442 0.84 PIK3CB (0.49) CHUKMCL1F2F10
SCHEMBL21884646 0.83 CHUK (0.45) CHUKHDAC1KCNMA1ROCK2GSK3B
SCHEMBL21884377 0.81 CHUK (0.43) CHUKMCL1F2F10
SCHEMBL5302307 0.80 CHUK (1.00) CHUKQDPRERN1PKMYT1MCL1
SCHEMBL21884412 0.80 AKR1C2 (0.44) CHUKERN1HDAC1PKMYT1HDAC6
SCHEMBL21884657 0.79 P2RX7 (0.44) CHUKHDAC1KCNMA1HDAC6HDAC2
SCHEMBL23875335 0.74 P2RX1 (0.57) CHUKKCNMA1IKBKBP2RX7
SCHEMBL21884644 0.74 PPIA (0.50) ACMSDDHFRP2RX7F2F10
SCHEMBL21884653 0.74 PLAU (0.61) F2F10

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 CHUK 3737/4885QDPR 740/4885ERN1 2697/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 CHUK 3104/4885QDPR 3364/4885ERN1 1204/4885

“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.