SCHEMBL19921117

SCHEMBL19921117

CC(C)Sc1ccccc1CNc1nc(N)nc2ccn(-c3ccc(N4CCC(O)CC4)cc3)c12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STAT6 P42226 3/20 0.35
▸ TLR7 Q9NYK1 12/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ CDK1 P06493 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ HTR2A P28223 3/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ PIK3CB P42338 1/20 0.31
▸ RORC P51449 1/20 0.31

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
SCHEMBL19921084 0.86 IRAK4 (0.34) STAT6CDK1IRAK4
SCHEMBL19921189 0.84 TTK (0.39) STAT6TLR7KCNH2RORC
SCHEMBL19921106 0.82 STAT6 (0.45) STAT6TLR7KCNH2PIK3CB
SCHEMBL19921111 0.81 TLR7 (0.35) TLR7KCNH2HTR2A
SCHEMBL19921070 0.81 STAT6 (0.43) STAT6IRAK4
SCHEMBL20546935 0.80 NLRP3 (0.42) STAT6TLR7KCNH2CDK1IRAK4
SCHEMBL20546960 0.79 KHK (0.35) STAT6IRAK4
SCHEMBL20546953 0.79 MAPT (0.41) STAT6TLR7KCNH2IRAK4
SCHEMBL20546169 0.78 IRAK4 (0.38) STAT6TLR7CDK1IRAK4
SCHEMBL20546925 0.77 HTR6 (0.38) TLR7KCNH2HTR2A

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-3290420-B1 PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF UNIV XIAMEN (CN) 2020-12-09 — — EP claimed
US-20180312508-A1 PYRIMIDOPYRROLE COMPOUNDS, METHOD FOR PREPARING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND USES THEREOF XIAMEN UNIVERSITY (CN) 2018-11-01 — — US claimed
EP-3290420-A1 PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF Xiamen University (CN) 2018-03-07 — — EP claimed

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-20180312508-A1 PYRIMIDOPYRROLE COMPOUNDS, METHOD FOR PREPARING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND USES THEREOF TPMT, DHPS, TYMP STAT6 640/4885TLR7 1744/4885KCNH2 3404/4885

“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.

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