SCHEMBL3394340

SCHEMBL3394340

CCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1Br

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.68
KMT2A Q03164 9/20 0.57
MEN1 O00255 8/20 0.57
NLRP3 Q96P20 1/20 0.57
PTGS2 P35354 2/20 0.56
POLB P06746 4/20 0.54
MAPT P10636 5/20 0.53
KDM4E B2RXH2 4/20 0.53
CYP1A2 P05177 2/20 0.53
HPGD P15428 2/20 0.53
CYP2C19 P33261 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL3392607 0.81 CDC25B (0.73) CDC25BKMT2AMEN1PTGS2MAPT
SCHEMBL3390639 0.81 CDC25B (1.00) CDC25BKMT2AMEN1POLBMAPT
SCHEMBL3390636 0.81 CDC25B (1.00) CDC25BKMT2AMEN1POLBMAPT
SCHEMBL3392603 0.81 CDC25B (0.73) CDC25BKMT2AMEN1PTGS2MAPT
SCHEMBL3388927 0.81 CDC25B (0.83) CDC25BKMT2AMEN1POLBMAPT
SCHEMBL3388931 0.81 CDC25B (0.83) CDC25BKMT2AMEN1POLBMAPT
SCHEMBL11255270 0.79 KMT2A (0.73) KMT2AMEN1NLRP3PTGS2POLB
SCHEMBL23392558 0.76 PTGS2 (0.86) KMT2AMEN1NLRP3PTGS2POLB
SCHEMBL11264716 0.75 PTGS2 (0.69) KMT2AMEN1NLRP3PTGS2POLB
SCHEMBL11245208 0.75 KMT2A (0.72) KMT2AMEN1NLRP3PTGS2POLB

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 315/4885KMT2A 1855/4885MEN1 1251/4885

“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.