SCHEMBL22790396

SCHEMBL22790396

COC(=O)c1cn(C)c2cc(Br)cc(F)c12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 8/20 0.46
NOTUM Q6P988 1/20 0.39
MAP2K1 Q02750 7/20 0.39
BRD4 O60885 1/20 0.38
MAP2K2 P36507 1/20 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 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
SCHEMBL35211364 1.00 NR4A2 (0.46) NR4A2NOTUMMAP2K1BRD4MAP2K2
SCHEMBL22790397 0.84 MAP2K1 (0.45) MAP2K1MAP2K2MEN1ALDH1A1HPGD
SCHEMBL35210953 0.84 MAP2K1 (0.45) MAP2K1MAP2K2MEN1ALDH1A1HPGD
SCHEMBL35210704 0.82 NOTUM (0.37) NR4A2NOTUMALDH1A1KMT2A
SCHEMBL26691558 0.80 NR4A2 (0.46) NR4A2MAP2K1BRD4MEN1ALDH1A1
SCHEMBL12180225 0.78 NR4A2 (0.43) NR4A2NOTUMBRD4MEN1ALDH1A1
SCHEMBL24330123 0.75 ALDH1A1 (0.42) NR4A2BRD4ALDH1A1
SCHEMBL24330126 0.75 NR4A2 (0.43) NR4A2BRD4ALDH1A1LMNAKMT2A
SCHEMBL22790101 0.75 KDM4E (0.42) NR4A2BRD4MEN1ALDH1A1LMNA
SCHEMBL35210583 0.75 NR4A2 (0.39) NR4A2BRD4MEN1ALDH1A1LMNA

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-20260125391-A1 PYRIMIDINE INDOLES AS CDK4 INHIBITORS INCYTE CORP (US) 2026-05-07 US disclosed
WO-2020249064-A1 COMPOUNDS FOR MODULATING FXR NANJING RUIJIE PHARMA CO., LTD. (CN) 2020-12-17 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-20260125391-A1 PYRIMIDINE INDOLES AS CDK4 INHIBITORS CDK4, CCNA1, CCNO NR4A2 179/4885NOTUM 4746/4885MAP2K1 252/4885

“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.