SCHEMBL21155204

SCHEMBL21155204

CC(C)(C)n1c2ccc(CN)cc2c2c3c(c4c(c21)CCC4)C(=O)NC3=O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 17/20 0.56
▸ CDK4 P11802 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ PRKCB P05771 1/20 0.35
▸ PRKCA P17252 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
SCHEMBL21160642 0.87 PARP1 (0.58) PARP1CDK4CCND1PRKCBPRKCA
SCHEMBL12256417 0.72 PARP1 (1.00) PARP1
SCHEMBL29435084 0.72 PARP1 (1.00) PARP1
SCHEMBL21160075 0.66 PARP1 (0.38) PARP1CDK4CCND1
SCHEMBL21155625 0.63 PARP1 (0.70) PARP1
SCHEMBL21160645 0.61 PARP1 (0.74) PARP1
SCHEMBL19693056 0.55 PRKCB (0.45) PRKCBPRKCA
SCHEMBL15968615 0.55 PARP1 (0.57) PARP1CDK4CCND1PRKCBPRKCA
SCHEMBL14980870 0.54 PARP1 (1.00) PARP1CDK4CCND1PRKCBPRKCA
SCHEMBL24119475 0.54 CA1 (0.42) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210299137-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATMENT OF DISEASES INVOLVING ACIDIC OR HYPOXIC DISEASED TISSUES CYBREXA 1, INC. 2021-09-30 — — US disclosed
US-10933069-B2 Compounds, compositions, and methods for treatment of diseases involving acidic or hypoxic diseased tissues CYBREXA 1, INC. (US) 2021-03-02 — — US disclosed
US-20190209580-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATMENT OF DISEASES INVOLVING ACIDIC OR HYPOXIC DISEASED TISSUES CYBREXA 1, INC. 2019-07-11 — — US 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 (3 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-20210299137-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATMENT OF DISEASES INVOLVING ACIDIC OR HYPOXIC DISEASED TISSUES HIF1A, HIF1AN, VHL PARP1 1881/4885CDK4 1178/4885CCND1 4407/4885
US-10933069-B2 Compounds, compositions, and methods for treatment of diseases involving acidic or hypoxic diseased tissues HIF1A, HIF1AN, VHL PARP1 1881/4885CDK4 1178/4885CCND1 4407/4885
US-20190209580-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATMENT OF DISEASES INVOLVING ACIDIC OR HYPOXIC DISEASED TISSUES HIF1A, HIF1AN, VHL PARP1 1881/4885CDK4 1178/4885CCND1 4407/4885

“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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