SCHEMBL21786232

SCHEMBL21786232

CC(=O)Nc1nccc(Oc2ccc([N+](=O)[O-])nc2C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.39
CDK4 P11802 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 3/20 0.35
AAK1 Q2M2I8 1/20 0.35
GAA P10253 3/20 0.34
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MCL1 Q07820 1/20 0.34
PTK2B Q14289 1/20 0.34
KDR P35968 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL21426310 0.79 PIN1 (0.37) MAPTAAK1KMT2AMEN1
SCHEMBL16038009 0.79 CSF1R (0.52) METGAAKMT2AMEN1KDR
SCHEMBL16036505 0.73 TGFBR1 (0.45) MAPTSMN1; SMN2GAAALDH1A1
SCHEMBL16036508 0.73 TGFBR1 (0.45) MAPTSMN1; SMN2GAAALDH1A1
SCHEMBL30890882 0.72 CSF1R (0.39) CYP2C9KDR
SCHEMBL21425505 0.72 CSF1R (0.39) CYP2C9KDR
SCHEMBL2829457 0.70 ALDH1A1 (0.40) MAPTSMN1; SMN2CYP1A2GAAKMT2A
SCHEMBL30421382 0.70 CYP1A2 (0.64) CDK4CCNE1CDK2SMN1; SMN2CYP1A2
SCHEMBL16038555 0.70 CSF1R (0.45) METSMN1; SMN2GAAKDR
SCHEMBL16037722 0.70 CSF1R (0.45) METSMN1; SMN2GAAKDR

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
US-11149021-B2 N-(azaaryl)cyclolactam-1-carboxamide derivative, preparation method therefor, and use thereof ABBISKO THERAPEUTICS CO., LTD. (CN) 2021-10-19 US disclosed
US-20200071302-A1 N-(AZAARYL)CYCLOLACTAM-1-CARBOXAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2020-03-05 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-20200071302-A1 N-(AZAARYL)CYCLOLACTAM-1-CARBOXAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF CSF1R, CSF3R, FAR1 MET 172/4885CDK4 1854/4885CCNE1 1512/4885
US-11149021-B2 N-(azaaryl)cyclolactam-1-carboxamide derivative, preparation method therefor, and use thereof CSF1R, CSF3R, FAR1 MET 172/4885CDK4 1854/4885CCNE1 1512/4885

“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.