SCHEMBL23854845

SCHEMBL23854845

N#Cc1ccc(O)c(C(=O)N=C2NCCN2)c1-c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.38
CYP11B2 P19099 2/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP11B1 P15538 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
CLK1 P49759 1/20 0.35
GPR35 Q9HC97 1/20 0.35
FASN P49327 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
SCHEMBL21884792 0.88 MAOA (0.37) KDM4EGAAALDH1A1HPGDFASN
SCHEMBL21884557 0.83 MAOA (0.36) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL23854891 0.83 BLM (0.33) KDM5A
SCHEMBL21884795 0.82 KDM4E (0.38) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL23854838 0.82 AR (0.34) FASNARRIPK3
SCHEMBL23854861 0.82 LRRK2 (0.33)
SCHEMBL21884487 0.81 SLC22A12 (0.34) CYP11B2CYP11B1
SCHEMBL23854865 0.79 KDM4E (0.43) KDM4EGAAGLAALDH1A1MAPT
SCHEMBL23854839 0.79 MKNK1 (0.32) KDM4ECYP11B2GAAALDH1A1MAPT
SCHEMBL23854847 0.79 RIPK3 (0.34) RIPK3

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 4 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

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 KDM4E 2932/4885CYP11B2 769/4885GAA 220/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 KDM4E 4324/4885CYP11B2 4207/4885GAA 666/4885

“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.