SCHEMBL21884657

SCHEMBL21884657

N=C(N)NC(=O)c1cc(-c2ccccn2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.44
KAT6A Q92794 4/20 0.43
KCNMA1 Q12791 1/20 0.42
CHEK2 O96017 1/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
OPRK1 P41145 1/20 0.40
HDAC1 Q13547 2/20 0.40
DHODH Q02127 1/20 0.40
CHUK O15111 1/20 0.40
F10 P00742 2/20 0.39
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
PRSS1 P07477 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL21884646 0.84 CHUK (0.45) P2RX7KCNMA1HDAC1CHUKCLK1
SCHEMBL8700012 0.81 KAT6A (0.54) KAT6ACHEK2HDAC8
Hydrochloric Acid SCHEMBL8703710 0.80 KAT6A (0.53) KAT6ACHEK2F10PRSS1HDAC8
SCHEMBL21884471 0.79 CHUK (0.66) P2RX7KCNMA1HDAC1CHUKF10
SCHEMBL30614608 0.78 MCL1 (0.62) DHODH
SCHEMBL10959096 0.78 MCL1 (0.62) DHODH
SCHEMBL21884416 0.77 PDPK1 (0.42) CHUKF10CLK1DYRK1A
SCHEMBL21884442 0.77 PIK3CB (0.49) CHUKF10DYRK1A
SCHEMBL21884408 0.77 MKNK1 (0.58) P2RX7KCNMA1HDAC1CHUKF10
SCHEMBL23874992 0.76 AXL (0.58) P2RX7KAT6ADHODH

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 P2RX7 3751/4885KAT6A 1412/4885KCNMA1 1826/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 P2RX7 4847/4885KAT6A 1651/4885KCNMA1 3907/4885

“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.