SCHEMBL19657122

SCHEMBL19657122

Cc1cc(C(=O)N(C)C)cc2[nH]cnc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CECR2 Q9BXF3 1/20 0.42
▸ PARP1 P09874 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PNP P00491 1/20 0.38
▸ ACACB O00763 3/20 0.38
▸ HSD11B1 P28845 2/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PDE9A O76083 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL1144576 0.82 KMT2A (0.43) PARP1KMT2AMEN1PNPACACB
SCHEMBL30032773 0.81 PARP1 (0.49) PARP1KMT2AMEN1PNPACACB
SCHEMBL19651820 0.81 PDE9A (0.41) CECR2KMT2AMEN1CTDSP1L3MBTL1
SCHEMBL30962612 0.78 NPC1 (0.38) CECR2KMT2AMEN1CTDSP1L3MBTL1
SCHEMBL30962498 0.78 RAB9A (0.42) PARP1KMT2AMEN1ACACBHSD11B1
SCHEMBL31337199 0.78 KMT2A (0.43) KMT2AMEN1L3MBTL1ACACBHSD11B1
SCHEMBL31337233 0.77 NPC1 (0.41) KMT2AMEN1L3MBTL1PNPACACB
SCHEMBL27472805 0.74 ACACB (0.40) KMT2AMEN1ACACBNPC1RAB9A
SCHEMBL30962522 0.74 ACACB (0.40) KMT2AMEN1ACACBNPC1RAB9A
SCHEMBL4961972 0.73 HDAC6 (0.60) KMT2AMEN1CTDSP1L3MBTL1HSD11B1

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 246/4885PARP1 143/4885KMT2A 126/4885

“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