SCHEMBL4855182

SCHEMBL4855182

O=S(=O)(c1ccccc1)c1cc2cnc(NN3CCOCC3)nc2n1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.41
TSHR P16473 3/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
PKM P14618 1/20 0.40
AKT1 P31749 7/20 0.39
MTOR P42345 5/20 0.39
MAPK1 P28482 3/20 0.39
USP2 O75604 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
HPGD P15428 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 2/20 0.39
STAT6 P42226 1/20 0.37
FGFR4 P22455 1/20 0.37

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
SCHEMBL4849640 0.74 PTGS2 (0.41) TSHRGAAMAPK1USP2ALDH1A1
SCHEMBL14163799 0.74 NPSR1 (0.37) TSHRGAAPKMMAPK1USP2
SCHEMBL4854091 0.74 ALDH1A1 (0.40) TSHRGAAHTTALDH1A1CYP1A2
SCHEMBL4855197 0.74 PIK3CA (0.43) PIK3CATSHRGAAHTTPKM
SCHEMBL14163800 0.71 PTGS2 (0.36) GAAPKMMAPK1USP2ALDH1A1
SCHEMBL14158899 0.70 ALDH1A1 (0.36) TSHRGAAMAPK1USP2ALDH1A1
SCHEMBL13385857 0.65 PDGFRB (0.53) USP2ALDH1A1CYP1A2CASP1CASP7
SCHEMBL4854187 0.65 AURKA (0.36) STAT6FGFR4
SCHEMBL13385810 0.63 CDK4 (0.64) FGFR4
SCHEMBL4854485 0.61 MAPK14 (0.52) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY 2008-06-12 US claimed
US-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY 2008-06-12 US disclosed
US-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY 2008-06-12 US disclosed
US-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY 2008-06-12 US disclosed
US-7319102-B1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-01-15 US disclosed
US-7319102-B1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-01-15 US disclosed
US-7319102-B1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-01-15 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-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors DPYD, IL1B, IL6 PIK3CA 1389/4885TSHR 4275/4885GAA 332/4885

“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.