SCHEMBL19657105

SCHEMBL19657105

Cc1cc(C(=O)N2CCOCC2)c2ncn(C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CECR2 Q9BXF3 3/20 0.47
▸ BRD4 O60885 2/20 0.47
▸ TAF1 P21675 2/20 0.47
▸ BRD9 Q9H8M2 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ RORC P51449 2/20 0.45
▸ HPGD P15428 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HSP90AA1 P07900 2/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ TAF11 Q15544 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
SCHEMBL19657115 0.84 BRD4 (0.50) CECR2BRD4TAF1BRD9HTT
SCHEMBL19651854 0.84 HSP90AA1 (0.46) CECR2BRD4TAF1BRD9HTT
SCHEMBL19657106 0.80 HPGD (0.48) CECR2BRD4TAF1BRD9HTT
SCHEMBL19657124 0.80 BRD4 (0.47) CECR2BRD4TAF1BRD9HTT
SCHEMBL19657112 0.74 HTT (0.47) CECR2BRD4TAF1BRD9HTT
SCHEMBL19651863 0.74 HSP90AA1 (0.54) CECR2BRD4TAF1BRD9HPGD
SCHEMBL4791767 0.71 CNR1 (0.47) BRD9HTTHPGDTSHRMAPT
SCHEMBL19657218 0.71 MAPT (0.59) HTTHPGDTSHRMAPTKDM4E
SCHEMBL19651852 0.69 BRD4 (0.48) CECR2BRD4TAF1BRD9HTT
SCHEMBL12813152 0.69 KMT2A (0.58) HTTHPGDTSHRKDM4ENPC1

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 CECR2 246/4885BRD4 1/4885TAF1 437/4885

“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.

Send feedback