SCHEMBL16808752

SCHEMBL16808752

CC(C)(C)OC(=O)NCc1cc2c(C#N)cccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 5/20 0.47
▸ MTNR1B P49286 5/20 0.47
▸ NR3C1 P04150 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ NR3C2 P08235 1/20 0.43
▸ NSD2 O96028 1/20 0.43
▸ BCHE P06276 1/20 0.42
▸ KDM4A O75164 1/20 0.40
▸ PRMT5 O14744 2/20 0.39
▸ WDR77 Q9BQA1 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ CTSS P25774 3/20 0.38
▸ CTSL P07711 2/20 0.38
▸ CTSK P43235 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ NQO2 P16083 1/20 0.37
▸ CACNA1H O95180 1/20 0.37

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
SCHEMBL16796342 0.82 MTNR1A (0.48) MTNR1AMTNR1BNR3C1PGRNR3C2
SCHEMBL19249105 0.79 CTSV (0.46) MTNR1AMTNR1BBCHEKDM4ACYP1A2
SCHEMBL25677972 0.77 KDM4A (0.54) MTNR1AMTNR1BBCHEKDM4ACYP1A2
SCHEMBL30469092 0.77 KDM4A (0.54) MTNR1AMTNR1BBCHEKDM4ACYP1A2
SCHEMBL16578887 0.75 PRMT5 (0.44) NSD2PRMT5WDR77PARP1CTSS
SCHEMBL31751652 0.74 SMN1; SMN2 (0.44) MTNR1AMTNR1BBCHEKDM4APRMT5
SCHEMBL8431228 0.74 CACNA1H (0.41) NSD2BCHEKDM4APRMT5WDR77
SCHEMBL5855817 0.74 KCNA5 (0.48) NSD2BCHEKDM4ACTSSCTSL
SCHEMBL30759248 0.73 BCHE (0.49) MTNR1AMTNR1BNR3C1BCHEKDM4A
SCHEMBL24453539 0.73 NR3C1 (0.45) MTNR1AMTNR1BNR3C1PGRNR3C2

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
US-9868722-B2 Monocyclic pyrimidine/pyridine compounds as inhibitors of P97 complex CLEAVE BIOSCIENCES, INC. (US) 2018-01-16 — — US disclosed
US-9868722-B2 Monocyclic pyrimidine/pyridine compounds as inhibitors of P97 complex CLEAVE BIOSCIENCES, INC. (US) 2018-01-16 — — US disclosed
US-20160304495-A1 MONOCYCLIC PYRIMIDINE/PYRIDINE COMPOUNDS AS INHIBITORS OF P97 COMPLEX CLEAVE BIOSCIENCES, INC. (US) 2016-10-20 — — US disclosed
US-20160304495-A1 MONOCYCLIC PYRIMIDINE/PYRIDINE COMPOUNDS AS INHIBITORS OF P97 COMPLEX CLEAVE BIOSCIENCES, INC. (US) 2016-10-20 — — US disclosed
WO-2015089218-A1 MONOCYCLIC PYRIMIDINE/PYRIDINE COMPOUNDS AS INHIBITORS OF P97 COMPLEX WUSTROW DAVID (US) 2015-06-18 — — 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 (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-20160304495-A1 MONOCYCLIC PYRIMIDINE/PYRIDINE COMPOUNDS AS INHIBITORS OF P97 COMPLEX PSMG3, PSMD2, PSME1 MTNR1A 3546/4885MTNR1B 3541/4885NR3C1 3832/4885

“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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