SCHEMBL17758496

SCHEMBL17758496

O=C(c1cc(Br)cc2[nH]cnc12)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.47
▸ TAF1 P21675 1/20 0.47
▸ CECR2 Q9BXF3 1/20 0.47
▸ BRD9 Q9H8M2 1/20 0.47
▸ HTT P42858 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ CCKBR P32239 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL29482223 1.00 BRD4 (0.47) BRD4TAF1CECR2BRD9HTT
SCHEMBL19657112 0.85 HTT (0.47) BRD4TAF1CECR2BRD9HTT
SCHEMBL19651856 0.81 HSP90AB1 (0.46) BRD4TAF1CECR2BRD9HTT
SCHEMBL19657110 0.74 ACACB (0.53) BRD4TAF1CECR2BRD9HPGD
SCHEMBL5156191 0.74 DHODH (0.47) HTTHPGDSMN1; SMN2MAPTKDM4E
SCHEMBL23123464 0.74 CCR5 (0.43) HTTHPGDSMN1; SMN2RAB9AMAPT
SCHEMBL13373365 0.72 HTT (0.47) HTTHPGDSMN1; SMN2MAPTKDM4E
SCHEMBL19651857 0.72 HSP90AB1 (0.54) BRD4TAF1CECR2BRD9SMN1; SMN2
SCHEMBL30029436 0.71 PIK3C2B (0.44) —
SCHEMBL17292508 0.71 PIK3C2B (0.44) —

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 8 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
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-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
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — US disclosed
WO-2016077378-A1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN GENENTECH, INC. (US) 2016-05-19 — — 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-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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