SCHEMBL3389872

SCHEMBL3389872

CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=O)N(C)C2=O)cc1Br

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.87
HPGD P15428 4/20 0.60
MAPT P10636 3/20 0.60
KMT2A Q03164 4/20 0.53
KDM4E B2RXH2 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
P2RX3 P56373 1/20 0.52
PSD A5PKW4 1/20 0.52
MEN1 O00255 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
PTPN1 P18031 7/20 0.50
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
PTGES O14684 1/20 0.45
POLB P06746 1/20 0.45
DNMT1 P26358 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN6 P29350 1/20 0.45

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
SCHEMBL3389881 1.00 CDC25B (0.87) CDC25BHPGDMAPTKMT2AKDM4E
SCHEMBL3390639 0.93 CDC25B (1.00) CDC25BHPGDMAPTKMT2AKDM4E
SCHEMBL3390636 0.93 CDC25B (1.00) CDC25BHPGDMAPTKMT2AKDM4E
SCHEMBL3388931 0.84 CDC25B (0.83) CDC25BHPGDMAPTKMT2AKDM4E
SCHEMBL3388927 0.84 CDC25B (0.83) CDC25BHPGDMAPTKMT2AKDM4E
SCHEMBL3392581 0.83 CDC25B (0.81) CDC25BHPGDMAPTKMT2AKDM4E
SCHEMBL3392583 0.83 CDC25B (0.81) CDC25BHPGDMAPTKMT2AKDM4E
SCHEMBL3392607 0.78 CDC25B (0.73) CDC25BHPGDMAPTKMT2AKDM4E
SCHEMBL3392603 0.78 CDC25B (0.73) CDC25BHPGDMAPTKMT2AKDM4E
SCHEMBL3391181 0.76 CDC25B (0.63) CDC25BMAPTKMT2ANPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861395-B1 5-(1,3-DIARYL-1H-PYRAZOL-4-YLMETHYLENE)-THIAZOLIDINE-2,4-DIONE DERIVATIVES USEFUL AS ANTICANCER AGENT KOREA RES INST CHEM TECH (KR) 2010-12-29 EP disclosed
US-7718681-B2 5-(1,3-Diaryl-1H-pyrazol-4-ylmethylene)-thiazolidine,2,4-dione derivatives useful as anticancer agent KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-05-18 US disclosed
US-20080275094-A1 5-(1,3-Diaryl-1H-Pyrazol-4-1 Methylene)-Thiazolidine-2,4-Dione Derivatives Useful as Anticancer Agent BARCLAYS BANK PLC (GB) 2008-11-06 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 (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-20080275094-A1 5-(1,3-Diaryl-1H-Pyrazol-4-1 Methylene)-Thiazolidine-2,4-Dione Derivatives Useful as Anticancer Agent TP53, CDKN1A, API5 CDC25B 315/4885HPGD 1229/4885MAPT 2588/4885

“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.