SCHEMBL4900370

SCHEMBL4900370

CCn1c(CNC(N)=O)nc(C2CC2)c1Sc1cc(C#N)cc(C#N)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
THRB P10828 1/20 0.33
FASN P49327 3/20 0.32
S1PR1 P21453 1/20 0.32
JAK2 O60674 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
RORC P51449 1/20 0.32
FPR2 P25090 1/20 0.32
ADORA2A P29274 1/20 0.31
ITK Q08881 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
MAPT P10636 1/20 0.31
GAA P10253 2/20 0.30
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4895868 0.84 AOC3 (0.33) SMN1; SMN2THRBFASNFPR2MAPT
SCHEMBL4892053 0.84 IRAK4 (0.31) IRAK4
SCHEMBL14168878 0.83 HSP90B1 (0.32) S1PR1
SCHEMBL14169637 0.83 FASN (0.31) SMN1; SMN2THRBFASNS1PR1
SCHEMBL4901389 0.81 FASN (0.31) FASN
SCHEMBL5407083 0.76 IRAK4 (0.33) JAK2TYK2JAK3IRAK4
SCHEMBL4903062 0.75 LMNA (0.33) SMN1; SMN2THRBALDH1A1LMNA
SCHEMBL4912810 0.75 FASN (0.30) FASN
SCHEMBL4918273 0.75
SCHEMBL4902092 0.74 TSHR (0.35) ADORA2AALDH1A1

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-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids PFIZER INC. (US) 2008-06-05 US disclosed
US-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids PFIZER INC. (US) 2008-06-05 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-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids SPR, TPMT, IMPDH1 SMN1; SMN2 2981/4885THRB 3007/4885FASN 723/4885

“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.