SCHEMBL4855162

SCHEMBL4855162

COC(=O)c1cc2cnc(SC)nc2n1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
ALDH1A1 P00352 7/20 0.38
MAPT P10636 6/20 0.38
KDM4E B2RXH2 5/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 3/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPC1 O15118 1/20 0.38
ALOX12 P18054 1/20 0.38
RAB9A P51151 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 2/20 0.37
HTT P42858 2/20 0.37
PDE4B Q07343 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
SCHEMBL14158805 0.88 MAPK1 (0.46) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL4852894 0.87 NOTUM (0.39) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL14280497 0.87 MAPT (0.34) PIK3CDPIK3CAMTORALDH1A1MAPT
SCHEMBL4848229 0.87 MAPT (0.34) PIK3CDPIK3CAMTORALDH1A1MAPT
SCHEMBL4850875 0.86 MAPT (0.38) PIK3CAMTORALDH1A1MAPTKDM4E
SCHEMBL4848223 0.85 RXFP1 (0.39) MAPTMAPK1HTTPDE4BLMNA
SCHEMBL14158831 0.79 MAPT (0.55) MAPTKDM4ENPC1LMNARXFP1
SCHEMBL24793164 0.78 L3MBTL1 (0.43) ALDH1A1MAPTKDM4ETSHRSMN1; SMN2
SCHEMBL22995034 0.77 TP53 (0.38) ALDH1A1MAPTKDM4ETSHRSMN1; SMN2
SCHEMBL4856292 0.77 MAPT (0.38) MAPTKDM4EHPGDHSD17B10SMN1; SMN2

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-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

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 PIK3CD 1808/4885PIK3CA 1389/4885MTOR 1810/4885

“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.