SCHEMBL21884380

SCHEMBL21884380

CNC(=N)NC(=O)c1c(O)ccc(C#N)c1-c1cccc(OC)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.38
AR P10275 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KCNMA1 Q12791 2/20 0.33
FASN P49327 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HIF1A Q16665 1/20 0.33
EGFR P00533 1/20 0.33
PIM1 P11309 1/20 0.33
PNLIP P16233 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IMPDH2 P12268 1/20 0.32
FABP4 P15090 1/20 0.32
JAK2 O60674 1/20 0.32
HSP90AA1 P07900 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 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
SCHEMBL21884659 0.89 PGR (0.38) PGRARMEN1KMT2AKCNMA1
SCHEMBL21884464 0.89 PPIA (0.32) ARPOLB
SCHEMBL21884461 0.88 AR (0.38) PGRARMEN1KMT2AEGFR
SCHEMBL21884409 0.86 PPIA (0.36) ARMEN1KMT2AKDM4EALDH1A1
SCHEMBL21884413 0.83 L3MBTL1 (0.34) L3MBTL1
SCHEMBL23854863 0.82 CCNT1 (0.41) ALDH1A1
SCHEMBL21884379 0.81 PPIA (0.34) ARPOLB
SCHEMBL21884351 0.80 SLC22A12 (0.36) PGRARKMT2AL3MBTL1ALDH1A1
SCHEMBL21884467 0.80 PPIA (0.38) AR
SCHEMBL21884563 0.79 PPIA (0.37) ARMEN1KMT2A

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 PGR 3024/4885AR 3072/4885MEN1 3141/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 PGR 4621/4885AR 4315/4885MEN1 2652/4885

“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.