SCHEMBL21996386

SCHEMBL21996386

Cc1n[nH]c(C)c1Cc1ccc(CN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
AR P10275 1/20 0.49
CASP3 P42574 3/20 0.49
ACHE P22303 1/20 0.46
CES1 P23141 1/20 0.46
MAPT P10636 2/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
ADRA1D P25100 3/20 0.44
ADRA1A P35348 3/20 0.44
ADRA1B P35368 3/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
PABPC1 P11940 1/20 0.42

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
SCHEMBL22281545 0.80 CASP3 (0.47) CASP3ACHECES1MAPTHPGD
SCHEMBL1774454 0.76 LMNA (0.66) MEN1LMNAKMT2AARMAPT
SCHEMBL13313003 0.76 LMNA (0.66) MEN1LMNAKMT2AARMAPT
Hydrochloric Acid SCHEMBL23068261 0.75 LMNA (0.64) MEN1LMNAKMT2AARMAPT
SCHEMBL29820192 0.75 CASP3 (0.65) CASP3MAPTHPGDHTTCA12
SCHEMBL8737445 0.75 CASP3 (0.65) CASP3MAPTHPGDHTTCA12
SCHEMBL2570317 0.73 CASP3 (0.73) MEN1KMT2ACASP3ACHECES1
SCHEMBL16403188 0.71 KMT2A (0.42) MEN1LMNAKMT2AMAPTHPGD
SCHEMBL22197860 0.70 MEN1 (0.62) MEN1LMNAKMT2AARMAPT
SCHEMBL4230856 0.70 LMNA (0.62) MEN1LMNAKMT2AARMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3886854-A1 PYRROLE AND PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF Nuvation Bio Inc. (US) 2021-10-06 EP disclosed
US-11034669-B2 Pyrrole and pyrazole compounds and methods of use thereof NUVATION BIO INC. (BM) 2021-06-15 US disclosed
US-11034669-B2 Pyrrole and pyrazole compounds and methods of use thereof NUVATION BIO INC. (BM) 2021-06-15 US disclosed
US-20200239433-A1 PYRROLE AND PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-07-30 US disclosed
WO-2020113094-A1 PYRROLE AND PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF NUVATION BIO INC. (US) 2020-06-04 WO 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-20200239433-A1 PYRROLE AND PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF NCOA3, NCOA1, NR3C1 MEN1 4133/4885LMNA 3488/4885KMT2A 3555/4885
US-11034669-B2 Pyrrole and pyrazole compounds and methods of use thereof NCOA3, NCOA1, NR3C1 MEN1 4133/4885LMNA 3488/4885KMT2A 3555/4885

“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.