SCHEMBL21884655

SCHEMBL21884655

COc1cc(-c2c(C#N)ccc(O)c2C(=O)NC2=NCC(F)(F)CN2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.36
AAK1 Q2M2I8 4/20 0.35
CYP3A4 P08684 2/20 0.35
KDM5A P29375 1/20 0.35
NR4A2 P43354 1/20 0.34
DHODH Q02127 1/20 0.34
SSTR2 P30874 1/20 0.34
USP30 Q70CQ3 2/20 0.34
ATR Q13535 1/20 0.33
CTSC P53634 1/20 0.32
ADORA2A P29274 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
ABL1 P00519 1/20 0.32
MAPK1 P28482 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
SCHEMBL21884504 0.92 LRRK2 (0.35) LRRK2AAK1CYP3A4KDM5ANR4A2
SCHEMBL21884624 0.86 LRRK2 (0.38) LRRK2AAK1CYP3A4KDM5ANR4A2
SCHEMBL21884619 0.84 LRRK2 (0.37) LRRK2AAK1CYP3A4KDM5ANR4A2
SCHEMBL21884582 0.83 MAPT (0.33) ADORA2A
SCHEMBL23854859 0.83 CYP11B2 (0.37)
SCHEMBL21884419 0.81 WNT3A (0.34) AAK1
SCHEMBL21884500 0.81 WDR5 (0.33)
SCHEMBL21884632 0.81 CCNT1 (0.40)
SCHEMBL21884465 0.80 AR (0.33) ATRABL1
SCHEMBL21884668 0.76 GPR6 (0.32)

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 LRRK2 3750/4885AAK1 3808/4885CYP3A4 4315/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 LRRK2 623/4885AAK1 2449/4885CYP3A4 4879/4885

“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.