SCHEMBL17453069

SCHEMBL17453069

CC(C)c1ccc2c(c1)N(C)C(=O)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.40
NR1H3 Q13133 1/20 0.39
HPGD P15428 1/20 0.39
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BMPR1B O00238 5/20 0.39
BMPR1A P36894 5/20 0.39
TGFBR1 P36897 5/20 0.39
ACVRL1 P37023 5/20 0.39
ACVR1 Q04771 5/20 0.39
ALDH1A1 P00352 2/20 0.38
TRIM24 O15164 1/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
RNASEH1 O60930 1/20 0.36
OPRM1 P35372 2/20 0.36

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
SCHEMBL22822278 0.87 MEN1 (0.40) MEN1KMT2ALMNABMPR1BBMPR1A
SCHEMBL6124250 0.86 MEN1 (0.51) MEN1KMT2ALMNANR1H3BMPR1B
SCHEMBL12546173 0.85 TRIM24 (0.43) NR1H3HPGDGFERHSD17B10TRIM24
SCHEMBL15625470 0.81 BMPR1B (0.40) MEN1KMT2AHPGDGFERHSD17B10
SCHEMBL26141146 0.79 NR1H3 (0.39) LMNANR1H3HPGDGFERHSD17B10
SCHEMBL19910563 0.79 BRD4 (0.49) MEN1KMT2AHPGDGFERHSD17B10
SCHEMBL1102435 0.78 HSP90AA1 (0.41) MEN1KMT2ALMNANR1H3HPGD
SCHEMBL5986263 0.77 HSD17B10 (0.47) MEN1KMT2AHPGDHSD17B10BMPR1B
SCHEMBL23349373 0.76 CTSC (0.41) MEN1KMT2ALMNABMPR1BBMPR1A
SCHEMBL11032224 0.75 DRD2 (0.44) BMPR1BBMPR1AACVRL1ACVR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230121807-A1 NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF HAISCO PHARMACEUTICALS PTE. LTD (SG) 2023-04-20 US disclosed
WO-2021155320-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 WO disclosed
WO-2018048928-A1 CHEMICAL PROBES OF LYSYL OXIDASE-LIKE 2 AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO disclosed
US-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 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 (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-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS CDK8, CDK9, CDK18 MEN1 3239/4885KMT2A 248/4885LMNA 1389/4885
US-20230121807-A1 NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF DPP4, DPP3, DPP9 MEN1 3665/4885KMT2A 4601/4885LMNA 4224/4885

“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.