SCHEMBL19651852

SCHEMBL19651852

CCn1cnc2c(C(=O)N3CCOCC3)cc(C(C)C)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.48
▸ TAF1 P21675 2/20 0.48
▸ CECR2 Q9BXF3 2/20 0.48
▸ BRD9 Q9H8M2 2/20 0.48
▸ HSP90AA1 P07900 2/20 0.44
▸ HSP90AB1 P08238 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ FKBP1A P62942 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ RORC P51449 2/20 0.38
▸ GLA P06280 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL24363697 0.91 BRD4 (0.47) BRD4TAF1CECR2BRD9HSP90AA1
SCHEMBL19657115 0.85 BRD4 (0.50) BRD4TAF1CECR2BRD9NPSR1
SCHEMBL19651854 0.85 HSP90AA1 (0.46) BRD4TAF1CECR2BRD9HSP90AA1
SCHEMBL19651856 0.76 HSP90AB1 (0.46) BRD4TAF1CECR2BRD9HSP90AA1
SCHEMBL19657123 0.71 HSP90AA1 (0.46) BRD4TAF1CECR2BRD9HSP90AA1
SCHEMBL19651819 0.70 MAPT (0.54) HSP90AA1HSP90AB1KMT2AALDH1A1L3MBTL1
SCHEMBL19657105 0.69 CECR2 (0.47) BRD4TAF1CECR2BRD9HSP90AA1
SCHEMBL29482218 0.69 RORC (0.40) BRD4TAF1CECR2BRD9NPSR1
SCHEMBL17758611 0.69 RORC (0.40) BRD4TAF1CECR2BRD9NPSR1
SCHEMBL14200335 0.68 HSP90AA1 (0.58) HSP90AA1HSP90AB1KMT2AALDH1A1L3MBTL1

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
EP-3218375-B1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN GENENTECH INC (US) 2022-04-27 — — EP disclosed
US-10183009-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-01-22 — — US disclosed
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — US disclosed
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — 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 (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-10183009-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRPF3 BRD4 1/4885TAF1 437/4885CECR2 246/4885
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRPF3 BRD4 1/4885TAF1 437/4885CECR2 246/4885

“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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