SCHEMBL21884500

SCHEMBL21884500

COc1ncc(F)cc1-c1c(C#N)ccc(O)c1C(=O)NC1=NCC(F)(F)CN1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
RET P07949 2/20 0.33
GPR6 P46095 5/20 0.32
POLQ O75417 1/20 0.32
CCNT1 O60563 6/20 0.32
CDK9 P50750 6/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
SCN9A Q15858 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL21884562 0.93 RET (0.35) WDR5GPBAR1RETGPR6POLQ
SCHEMBL21884406 0.88 WDR5 (0.44) WDR5GPBAR1GPR6POLQCCNT1
SCHEMBL21884632 0.87 CCNT1 (0.40) CCNT1CDK9
SCHEMBL21884616 0.86 WDR5 (0.40) WDR5GPBAR1GPR6POLQCCNT1
SCHEMBL21884465 0.84 AR (0.33) GPBAR1GPR6POLQSLC22A12
SCHEMBL21884655 0.81 LRRK2 (0.36)
SCHEMBL21884605 0.80 CCNT1 (0.40) CCNT1CDK9
SCHEMBL21884668 0.80 GPR6 (0.32) GPR6
SCHEMBL21884570 0.78 CCNT1 (0.34) RETPOLQCCNT1CDK9
SCHEMBL23854859 0.77 CYP11B2 (0.37)

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 WDR5 3394/4885GPBAR1 292/4885RET 1732/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 WDR5 1567/4885GPBAR1 4201/4885RET 2969/4885

“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.