SCHEMBL19651820

SCHEMBL19651820

CC(C)c1cc(C(=O)N(C)C)cc2[nH]cnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 1/20 0.41
▸ CECR2 Q9BXF3 1/20 0.40
▸ HSP90AB1 P08238 2/20 0.36
▸ PNP P00491 1/20 0.36
▸ HTT P42858 2/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL19657122 0.81 CECR2 (0.42) PDE9ACECR2PNPMEN1RAB9A
SCHEMBL18999656 0.72 GABRA1 (0.37) HSP90AB1PNPHTTMEN1KMT2A
SCHEMBL12110225 0.70 ACLY (0.35) HSP90AB1PNPHTTMEN1KMT2A
SCHEMBL17661910 0.70 GABRA1 (0.42) HSP90AB1PNPHTTMEN1KMT2A
SCHEMBL4961972 0.70 HDAC6 (0.60) HTTMEN1RAB9AKMT2ANPC1
SCHEMBL12110220 0.69 HSP90AA1 (0.36) HSP90AB1PNPHTTMEN1KMT2A
SCHEMBL17127786 0.68 PNP (0.33) HSP90AB1PNPHTTMEN1KMT2A
SCHEMBL18254476 0.67 QPCT (0.33) HSP90AB1PNPHTTMEN1KMT2A
SCHEMBL3727867 0.67 HDAC6 (0.45) HTTTLR8TLR7MEN1RAB9A
SCHEMBL12110221 0.67 CTSS (0.39) PNPHTTMEN1KMT2AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PDE9A 1651/4885CECR2 246/4885HSP90AB1 1054/4885

“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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