SCHEMBL19657115

SCHEMBL19657115

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.50
▸ TAF1 P21675 2/20 0.50
▸ CECR2 Q9BXF3 2/20 0.50
▸ BRD9 Q9H8M2 2/20 0.50
▸ HTT P42858 2/20 0.44
▸ RORC P51449 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ USP2 O75604 2/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPC1 O15118 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
SCHEMBL19651852 0.85 BRD4 (0.48) BRD4TAF1CECR2BRD9HTT
SCHEMBL19657105 0.84 CECR2 (0.47) BRD4TAF1CECR2BRD9HTT
SCHEMBL24363697 0.83 BRD4 (0.47) BRD4TAF1CECR2BRD9HTT
SCHEMBL19657112 0.74 HTT (0.47) BRD4TAF1CECR2BRD9HTT
SCHEMBL24363727 0.72 CECR2 (0.70) BRD4TAF1CECR2BRD9
SCHEMBL17758611 0.71 RORC (0.40) BRD4TAF1CECR2BRD9HTT
SCHEMBL29482218 0.71 RORC (0.40) BRD4TAF1CECR2BRD9HTT
SCHEMBL19657124 0.69 BRD4 (0.47) BRD4TAF1CECR2BRD9HTT
SCHEMBL19651854 0.69 HSP90AA1 (0.46) BRD4TAF1CECR2BRD9HTT
SCHEMBL19657218 0.68 MAPT (0.59) HTTHPGDALDH1A1TSHRKDM4E

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
EP-3218375-B1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN GENENTECH INC (US) 2022-04-27 — — EP 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 (1 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-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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