SCHEMBL19657123

SCHEMBL19657123

CC(C)c1cc(C(=O)N2CCOCC2)c2c(c1)ncn2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.46
▸ HSP90AB1 P08238 2/20 0.46
▸ BRD4 O60885 1/20 0.45
▸ TAF1 P21675 1/20 0.45
▸ CECR2 Q9BXF3 1/20 0.45
▸ BRD9 Q9H8M2 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ HTT P42858 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ FKBP1A P62942 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL19657124 0.84 BRD4 (0.47) HSP90AA1HSP90AB1BRD4TAF1CECR2
SCHEMBL19651854 0.81 HSP90AA1 (0.46) HSP90AA1HSP90AB1BRD4TAF1CECR2
SCHEMBL19651815 0.77 HSP90AA1 (0.47) HSP90AA1HSP90AB1ATMRXFP1HTT
SCHEMBL19651819 0.72 MAPT (0.54) HSP90AA1HSP90AB1ATMRXFP1HTT
SCHEMBL19651856 0.71 HSP90AB1 (0.46) HSP90AA1HSP90AB1BRD4TAF1CECR2
SCHEMBL19651852 0.71 BRD4 (0.48) HSP90AA1HSP90AB1BRD4TAF1CECR2
SCHEMBL14200335 0.70 HSP90AA1 (0.58) HSP90AA1HSP90AB1HTTALDH1A1KMT2A
SCHEMBL487556 0.70 HSP90AA1 (0.64) HSP90AA1HSP90AB1ATMRXFP1HTT
SCHEMBL12545691 0.70 HSP90AA1 (0.53) HSP90AA1HSP90AB1ATMRXFP1HTT
SCHEMBL12546090 0.69 KDM4E (0.68) HSP90AA1HSP90AB1ATMRXFP1HTT

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 2 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

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 1054/4885BRD4 1/4885
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRPF3 HSP90AA1 1632/4885HSP90AB1 1054/4885BRD4 1/4885

“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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