SCHEMBL29599202

SCHEMBL29599202

Cn1ccc(-n2ccc3ccccc32)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ ROCK1 Q13464 1/20 0.49
▸ MAPT P10636 3/20 0.43
▸ BIRC5 O15392 1/20 0.43
▸ CA12 O43570 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ BRPF1 P55201 1/20 0.43
▸ KAT2B Q92831 1/20 0.43
▸ BRD9 Q9H8M2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PRKD3 O94806 1/20 0.42
▸ PRKCG P05129 1/20 0.42
▸ PRKCB P05771 1/20 0.42
▸ PRKCA P17252 1/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ PRKACG P22612 1/20 0.42
▸ PRKACB P22694 1/20 0.42
▸ PRKCH P24723 1/20 0.42

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
SCHEMBL15910580 0.73 SYK (0.39) CDC7CDK2ROCK1MAPTALDH1A1
SCHEMBL29598931 0.72 IRAK4 (0.51) KMT2A
SCHEMBL28617611 0.71 CDC7 (0.53) CDC7CDK2ROCK1MAPTBIRC5
SCHEMBL31107087 0.70 CDC7 (0.60) CDC7CDK2ROCK1MAPTBIRC5
SCHEMBL29388549 0.70 CDC7 (0.60) CDC7CDK2ROCK1MAPTBIRC5
SCHEMBL524138 0.70 CDC7 (0.60) CDC7CDK2ROCK1MAPTBIRC5
SCHEMBL13483673 0.70 CDC7 (0.51) CDC7CDK2ROCK1MAPTBIRC5
SCHEMBL13052919 0.70 BIRC5 (0.59) CDC7CDK2ROCK1MAPTBIRC5
SCHEMBL19206978 0.69 SMN1; SMN2 (0.53) MAPTBIRC5CA12CA9BRD4
SCHEMBL2186020 0.69 CDC7 (0.54) CDC7CDK2ROCK1MAPTBIRC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11304929-B2 Tosylacetate based compounds and derivatives thereof as PHGDH inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-04-19 — — 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 (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-11304929-B2 Tosylacetate based compounds and derivatives thereof as PHGDH inhibitors PHGDH, G6PD, PHPT1 CDC7 1904/4885CDK2 421/4885ROCK1 1156/4885

“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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