SCHEMBL21842247

SCHEMBL21842247

Oc1c(C(Nc2ccccn2)c2ccc(F)c(Cl)c2)ccc2cccnc12

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P4HB P07237 6/20 0.77
MDM2 Q00987 6/20 0.71
TP53 P04637 3/20 0.69
JMJD7 P0C870 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
HIF1A Q16665 1/20 0.69
HSD17B10 Q99714 1/20 0.69
MAPT P10636 2/20 0.69
USP2 O75604 1/20 0.69
LMNA P02545 1/20 0.69
THRB P10828 1/20 0.69
TEAD4 Q15561 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
GRK6 P43250 1/20 0.64
SLC2A1 P11166 1/20 0.63

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
SCHEMBL9965758 0.91 MDM2 (0.79) P4HBMDM2TP53JMJD7CYP2D6
SCHEMBL13836221 0.87 P4HB (1.00) P4HBMDM2TP53JMJD7CYP2D6
SCHEMBL9965609 0.86 P4HB (0.81) P4HBMDM2TP53JMJD7CYP2D6
SCHEMBL15781901 0.86 P4HB (0.74) P4HBTP53JMJD7CYP2D6CYP2C9
SCHEMBL21842223 0.85 MDM2 (0.82) P4HBMDM2TP53JMJD7CYP2D6
SCHEMBL9965614 0.85 MDM2 (0.81) P4HBMDM2TP53JMJD7CYP2D6
SCHEMBL21842496 0.85 MDM2 (0.63) P4HBMDM2TP53MAPTSMN1; SMN2
SCHEMBL23854803 0.85 TP53 (0.82) P4HBMDM2TP53JMJD7CYP2D6
SCHEMBL15783133 0.84 P4HB (0.78) P4HBMDM2TP53JMJD7CYP2D6
SCHEMBL9965509 0.84 TP53 (0.67) P4HBMDM2TP53JMJD7CYP2D6

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-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-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
WO-2020061476-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-20210300898-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 P4HB 2252/4885MDM2 195/4885TP53 6/4885
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 P4HB 2832/4885MDM2 4508/4885TP53 4180/4885

“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.