SCHEMBL21884562

SCHEMBL21884562

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.35
GPR6 P46095 3/20 0.33
WDR5 P61964 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
CCNT1 O60563 10/20 0.33
CDK9 P50750 10/20 0.33
ABL1 P00519 1/20 0.32
POLQ O75417 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
SCHEMBL21884500 0.93 WDR5 (0.33) RETGPR6WDR5GPBAR1CCNT1
SCHEMBL21884605 0.88 CCNT1 (0.40) CCNT1CDK9
SCHEMBL21884668 0.88 GPR6 (0.32) GPR6
SCHEMBL21884406 0.87 WDR5 (0.44) GPR6WDR5GPBAR1CCNT1CDK9
SCHEMBL21884570 0.86 CCNT1 (0.34) RETCCNT1CDK9ABL1POLQ
SCHEMBL21884616 0.85 WDR5 (0.40) GPR6WDR5GPBAR1CCNT1CDK9
SCHEMBL21884359 0.84 RIPK3 (0.32) RETGPR6GPBAR1ABL1POLQ
SCHEMBL21884564 0.84 CSNK2A1 (0.34) RETGPR6ABL1
SCHEMBL21884501 0.83 CYP11B2 (0.35) ABL1
SCHEMBL21884632 0.81 CCNT1 (0.40) CCNT1CDK9

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 RET 1732/4885GPR6 1334/4885WDR5 3394/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 RET 2969/4885GPR6 4070/4885WDR5 1567/4885

“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.