SCHEMBL17916730

SCHEMBL17916730

C[C@@H]1C[C@H](Nc2cnn(C)c(=O)c2Cl)CN(C)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 20/20 1.00
▸ KAT2A Q92830 1/20 0.71
▸ BRD9 Q9H8M2 1/20 0.68
▸ BPTF Q12830 1/20 0.67

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
SCHEMBL17916735 1.00 KAT2B (1.00) KAT2BKAT2ABRD9BPTF
SCHEMBL17916734 1.00 KAT2B (1.00) KAT2BKAT2ABRD9BPTF
SCHEMBL17916739 1.00 KAT2B (1.00) KAT2BKAT2ABRD9BPTF
SCHEMBL20841479 1.00 KAT2B (1.00) KAT2BKAT2ABRD9BPTF
SCHEMBL17916737 1.00 KAT2B (1.00) KAT2BKAT2ABRD9BPTF
SCHEMBL17916732 0.83 KAT2B (1.00) KAT2BKAT2ABRD9BPTF
SCHEMBL17916726 0.83 KAT2B (1.00) KAT2BKAT2ABRD9BPTF
SCHEMBL17916724 0.83 KAT2B (1.00) KAT2BKAT2ABRD9BPTF
SCHEMBL17916629 0.82 KAT2B (1.00) KAT2BBPTF
SCHEMBL23682875 0.81 KAT2B (1.00) KAT2BKAT2ABRD9BPTF

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-10239861-B2 Therapeutic compounds and uses thereof GENETECH, INC. (US) 2019-03-26 — — US disclosed
EP-3242874-B1 PYRIDAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER GENENTECH INC (US) 2018-10-31 — — EP disclosed
US-20180037566-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-02-08 — — US disclosed
US-20180037566-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-02-08 — — US disclosed
WO-2016112298-A1 PYRIDAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2016-07-14 — — 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-10239861-B2 Therapeutic compounds and uses thereof HDAC10, HDAC6, HDAC11 KAT2B 103/4885KAT2A 152/4885BRD9 2896/4885
US-20180037566-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF HDAC10, HDAC6, HDAC11 KAT2B 103/4885KAT2A 152/4885BRD9 2896/4885

“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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