SCHEMBL3393009

SCHEMBL3393009

O=C1NC(=O)C(=Cc2cn(-c3ccccc3)nc2C(F)(F)F)S1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.56
IGF1R P08069 1/20 0.49
PARP1 P09874 2/20 0.48
PTGS2 P35354 2/20 0.48
PIM1 P11309 3/20 0.48
PIM2 Q9P1W9 3/20 0.48
PIM3 Q86V86 1/20 0.48
TTR P02766 1/20 0.46
NAT1 P18440 1/20 0.46
NR1H4 Q96RI1 1/20 0.45
PTGES O14684 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
SCHEMBL23036942 0.82 MTOR (0.59) MTORIGF1RPARP1PTGS2PIM1
SCHEMBL13345210 0.81 PLK1 (0.65) MTORPTGS2PTGES
SCHEMBL3391167 0.78 PTGES (0.53) MTORIGF1RPARP1PTGS2PTGES
SCHEMBL3391172 0.78 PTGES (0.53) MTORIGF1RPARP1PTGS2PTGES
SCHEMBL3391203 0.76 PTGES (0.54) MTORPARP1PTGS2PTGES
SCHEMBL3391207 0.76 PTGES (0.54) MTORPARP1PTGS2PTGES
SCHEMBL4854031 0.76 MEN1 (0.60) PTGS2TTR
SCHEMBL4854035 0.76 MEN1 (0.60) PTGS2TTR
SCHEMBL14304515 0.74 PTGS2 (0.58) PTGS2
SCHEMBL23036944 0.73 MTOR (0.79) MTORIGF1RPTGS2PIM1PIM2

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 MTOR 656/4885IGF1R 904/4885PARP1 331/4885

“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.