SCHEMBL21884490

SCHEMBL21884490

N#Cc1ccc(O)c(C(=O)N=C2NCCN2)c1-c1ccccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.35
GAA P10253 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
LRRK2 Q5S007 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
TSHR P16473 2/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL21884540 0.90 GAA (0.33) PIM1GAAKDM4EGLAPOLB
SCHEMBL21884531 0.88 PDK2 (0.32)
SCHEMBL23854855 0.87 KDM4E (0.32) KDM4EL3MBTL1HTTALDH1A1HPGD
SCHEMBL21884485 0.87 CUL4A (0.33) ARMAOAMAOB
SCHEMBL21884793 0.85 MEN1 (0.31) GAAHTTMEN1HPGDKMT2A
SCHEMBL23854884 0.85 PDK2 (0.31)
SCHEMBL21884800 0.85 KDM4E (0.32) PIM1GAAKDM4EHTTMEN1
SCHEMBL21884797 0.85 P2RX7 (0.32) AR
SCHEMBL23854862 0.84 PGR (0.40) KDM4EATML3MBTL1TSHRMEN1
SCHEMBL21884792 0.84 MAOA (0.37) GAAKDM4EALDH1A1HPGDMAOA

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 PIM1 4037/4885GAA 220/4885KDM4E 2932/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 PIM1 2851/4885GAA 666/4885KDM4E 4324/4885

“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.