SCHEMBL21884401

SCHEMBL21884401

COc1cnc(F)cc1-c1c(C#N)ccc(O)c1C(=O)NC1=NCCN1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 9/20 0.36
CCNT1 O60563 10/20 0.35
CDK9 P50750 10/20 0.35
POLQ O75417 1/20 0.35

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
SCHEMBL21884425 0.95 ITGB3 (0.35) WDR5CCNT1CDK9POLQ
SCHEMBL23875079 0.88 CCNT1 (0.42) CCNT1CDK9
SCHEMBL21884570 0.87 CCNT1 (0.34) CCNT1CDK9POLQ
SCHEMBL21884435 0.86 ALDH1A1 (0.36) WDR5CCNT1CDK9
SCHEMBL21884480 0.86 WDR5 (0.34) WDR5POLQ
SCHEMBL21884406 0.85 WDR5 (0.44) WDR5CCNT1CDK9POLQ
SCHEMBL21884368 0.84 WDR5 (0.35) WDR5
SCHEMBL21884369 0.84 WDR5 (0.36) WDR5
SCHEMBL24066342 0.84 PGR (0.39) WDR5
SCHEMBL21884421 0.83 WDR5 (0.35) WDR5

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 3394/4885CCNT1 4085/4885CDK9 4006/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 WDR5 1567/4885CCNT1 4017/4885CDK9 2832/4885

“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.