SCHEMBL26629975

SCHEMBL26629975

CC(C)c1cnc2c(N(Cc3ccccc3)C(=O)OC(C)(C)C)nc(Cl)cn12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.39
▸ GAA P10253 2/20 0.37
▸ AKT1 P31749 3/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SCD O00767 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ P2RX7 Q99572 1/20 0.34

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
SCHEMBL26731138 0.88 ITGA4 (0.38) —
SCHEMBL26731148 0.84 NPBWR1 (0.33) MCL1
SCHEMBL26731101 0.82 S1PR3 (0.35) HTR2CSLC6A4SCD
SCHEMBL26731086 0.79 MCL1 (0.34) MCL1HTR2CSLC6A4
SCHEMBL26629863 0.79 MCL1 (0.39) MCL1AKT1HTR2CSLC6A4POLB
SCHEMBL26630115 0.79 TSPO (0.41) SMN1; SMN2
SCHEMBL26629954 0.78 HTR2C (0.38) MCL1GAAAKT1HTR2CSLC6A4
SCHEMBL26630085 0.78 JAK2 (0.41) —
SCHEMBL26629952 0.73 PDK1 (0.36) HDAC8
SCHEMBL26629946 0.73 PDK1 (0.36) HDAC8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348475-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 TRANSLATIONAL GENOMICS RES INST (US) 2023-11-02 — — US disclosed
US-20230348475-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 TRANSLATIONAL GENOMICS RES INST (US) 2023-11-02 — — US disclosed
US-20230348475-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 TRANSLATIONAL GENOMICS RES INST (US) 2023-11-02 — — US disclosed
WO-2022061155-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2022-03-24 — — 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 (1 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-20230348475-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 CDK7, CDK8, CDKL4 MCL1 1028/4885GAA 2670/4885AKT1 1009/4885

“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.

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