SCHEMBL22790397

SCHEMBL22790397

Cn1cc(C(=O)O)c2c(F)cc(Br)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 9/20 0.45
MAP2K2 P36507 2/20 0.38
POLB P06746 1/20 0.36
MCL1 Q07820 1/20 0.36
MYC P01106 1/20 0.36
NR4A1 P22736 1/20 0.36
GPR17 Q13304 1/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
HSD17B10 Q99714 2/20 0.35
EGLN1 Q9GZT9 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DGAT1 O75907 1/20 0.33
CDK2 P24941 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL35210953 1.00 MAP2K1 (0.45) MAP2K1MAP2K2POLBMCL1MYC
SCHEMBL35211364 0.84 NR4A2 (0.46) MAP2K1MAP2K2MEN1KMT2AALDH1A1
SCHEMBL22790396 0.84 NR4A2 (0.46) MAP2K1MAP2K2MEN1KMT2AALDH1A1
SCHEMBL35211202 0.81 MAP2K1 (0.35) MAP2K1POLBMYCNR4A1GPR17
SCHEMBL26691558 0.78 NR4A2 (0.46) MAP2K1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2439783 0.74 POLB (0.47) POLBMEN1KMT2AALDH1A1
SCHEMBL35210914 0.73 ALDH1A1 (0.46) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL1020529 0.73 MAP2K1 (0.52) MAP2K1POLBMCL1MEN1KMT2A
SCHEMBL1096533 0.72 CDK2 (0.49) MAP2K1POLBMCL1MYCNR4A1
SCHEMBL2587254 0.72 AKR1C3 (0.36) MAP2K1POLBMCL1MYCNR4A1

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 MAP2K1 252/4885MAP2K2 233/4885POLB 247/4885

“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.