SCHEMBL21884568

SCHEMBL21884568

COc1cccc(-c2c(C#N)ccc(O)c2C(=O)NC(=N)N)c1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.38
PGR P06401 2/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.34
EGFR P00533 1/20 0.34
PIM1 P11309 1/20 0.34
ERN1 O75460 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
KLK1 P06870 2/20 0.33
KLK5 Q9Y337 2/20 0.33
IMPDH2 P12268 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 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
SCHEMBL21884591 0.90 PGR (0.44) ARPGRKMT2AMEN1HTR2A
SCHEMBL21884461 0.89 AR (0.38) ARPGRKMT2AMEN1EGFR
SCHEMBL21884609 0.88 AR (0.37) ARPGRKMT2AMEN1EGFR
SCHEMBL21884659 0.88 PGR (0.38) ARPGRKMT2AMEN1EGFR
SCHEMBL21885698 0.87 PPIA (0.33) AR
SCHEMBL23854877 0.86 PPIA (0.39) ARPGRKMT2AMEN1
SCHEMBL21884565 0.86 KMT2A (0.38) ARPGRKMT2AMEN1CA12
SCHEMBL21885734 0.86 CCNT1 (0.42) ARPGRALDH1A1
SCHEMBL21884438 0.85 PPIA (0.33) ARKMT2AMEN1ALDH1A1
SCHEMBL21884352 0.83 AR (0.42) ARPGRCA12CA1CA2

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 AR 3072/4885PGR 3024/4885KMT2A 1645/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 AR 4315/4885PGR 4621/4885KMT2A 3637/4885

“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.