SCHEMBL21884570

SCHEMBL21884570

COc1cnc(F)cc1-c1c(C#N)ccc(O)c1C(=O)NC1=NCC(C)(C)CN1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 16/20 0.34
CDK9 P50750 16/20 0.34
POLQ O75417 1/20 0.33
ABL1 P00519 1/20 0.32
MET P08581 1/20 0.32
AXL P30530 1/20 0.32
RET P07949 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
SCHEMBL21884605 0.90 CCNT1 (0.40) CCNT1CDK9
SCHEMBL21884401 0.87 WDR5 (0.36) CCNT1CDK9POLQ
SCHEMBL21884359 0.87 RIPK3 (0.32) POLQABL1RET
SCHEMBL21884562 0.86 RET (0.35) CCNT1CDK9POLQABL1RET
SCHEMBL21884425 0.85 ITGB3 (0.35) CCNT1CDK9POLQ
SCHEMBL21884564 0.85 CSNK2A1 (0.34) ABL1RET
SCHEMBL21884668 0.85 GPR6 (0.32)
SCHEMBL21884419 0.83 WNT3A (0.34)
SCHEMBL21884632 0.83 CCNT1 (0.40) CCNT1CDK9
SCHEMBL21884504 0.80 LRRK2 (0.35) ABL1

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 CCNT1 4085/4885CDK9 4006/4885POLQ 2680/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 CCNT1 4017/4885CDK9 2832/4885POLQ 1162/4885

“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.