SCHEMBL19651863

SCHEMBL19651863

CC(C)c1cc(C(=O)N2CCOCC2)cc2c1ncn2C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.54
▸ HSP90AB1 P08238 2/20 0.54
▸ CECR2 Q9BXF3 2/20 0.46
▸ BRD9 Q9H8M2 2/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ TAF1 P21675 1/20 0.46
▸ TAF11 Q15544 1/20 0.46
▸ TAF1L Q8IZX4 1/20 0.46
▸ GLRA1 P23415 1/20 0.44
▸ BTK Q06187 2/20 0.41
▸ FKBP1A P62942 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ B3GNT2 Q9NY97 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL19657106 0.84 HPGD (0.48) CECR2BRD9BRD4TAF1TAF11
SCHEMBL19651854 0.79 HSP90AA1 (0.46) HSP90AA1HSP90AB1CECR2BRD9BRD4
SCHEMBL16860686 0.76 HSP90AA1 (0.72) HSP90AA1HSP90AB1GLRA1SMN1; SMN2KMT2A
SCHEMBL19651857 0.76 HSP90AB1 (0.54) HSP90AA1HSP90AB1CECR2BRD9BRD4
SCHEMBL19657105 0.74 CECR2 (0.47) HSP90AA1HSP90AB1CECR2BRD9BRD4
SCHEMBL13816278 0.72 HSP90AA1 (0.79) HSP90AA1HSP90AB1SMN1; SMN2KMT2AALDH1A1
SCHEMBL14200335 0.70 HSP90AA1 (0.58) HSP90AA1HSP90AB1FKBP1ASMN1; SMN2KMT2A
SCHEMBL12545945 0.70 HSP90AA1 (0.75) HSP90AA1HSP90AB1SMN1; SMN2KMT2AALDH1A1
SCHEMBL487641 0.70 HSP90AA1 (1.00) HSP90AA1HSP90AB1GLRA1KMT2AALDH1A1
SCHEMBL11976994 0.69 HSP90AA1 (0.73) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HSP90AA1 1632/4885HSP90AB1 1054/4885CECR2 246/4885
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRPF3 HSP90AA1 1632/4885HSP90AB1 1054/4885CECR2 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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