SCHEMBL23854792

SCHEMBL23854792

Oc1c(C(Nc2cnccn2)c2ccccc2)ccc2cccnc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.78
CYP2C9 P11712 2/20 0.78
CYP2C19 P33261 2/20 0.78
HIF1A Q16665 2/20 0.78
JMJD7 P0C870 1/20 0.78
CYP2D6 P10635 1/20 0.78
HSD17B10 Q99714 1/20 0.78
GRK6 P43250 1/20 0.76
P4HB P07237 5/20 0.70
RCE1 Q9Y256 2/20 0.70
TEAD4 Q15561 1/20 0.69
MAPT P10636 2/20 0.66
ALDH1A1 P00352 2/20 0.66
KDM4E B2RXH2 1/20 0.66
GAA P10253 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.65
CYP3A4 P08684 1/20 0.64
ALOX15 P16050 1/20 0.64

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
SCHEMBL5090192 0.88 TP53 (1.00) TP53CYP2C9CYP2C19HIF1AJMJD7
SCHEMBL14907817 0.86 GRK6 (1.00) TP53CYP2C9CYP2C19HIF1AJMJD7
SCHEMBL23854793 0.85 TP53 (0.70) TP53CYP2C9CYP2C19HIF1AJMJD7
SCHEMBL21842473 0.83 P4HB (0.81) TP53CYP2C9CYP2C19HIF1AJMJD7
SCHEMBL11955293 0.83 P4HB (1.00) TP53CYP2C9CYP2C19HIF1AJMJD7
SCHEMBL21842418 0.82 TEAD4 (0.55) TP53CYP2C9CYP2C19HIF1AJMJD7
SCHEMBL21842213 0.82 TP53 (0.75) TP53CYP2C9CYP2C19HIF1AJMJD7
SCHEMBL9962877 0.81 P4HB (0.77) TP53CYP2C9CYP2C19HIF1AJMJD7
SCHEMBL21842411 0.81 TP53 (0.73) TP53CYP2C9CYP2C19HIF1AJMJD7
SCHEMBL18197735 0.81 TP53 (0.79) TP53CYP2C9CYP2C19HIF1AJMJD7

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-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
US-20210300898-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS 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
US-20210300898-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS 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-20210300898-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 TP53 6/4885CYP2C9 4883/4885CYP2C19 4884/4885
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 TP53 4180/4885CYP2C9 3278/4885CYP2C19 3294/4885

“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.