SCHEMBL20546960

SCHEMBL20546960

CSc1ccccc1Nc1nc(N)nc2ccn(-c3ccc(N4CCC(O)CC4)cc3)c12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 10/20 0.35
▸ IRAK4 Q9NWZ3 2/20 0.35
▸ INSR P06213 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ DCLK1 O15075 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ STAT6 P42226 1/20 0.33
▸ CFTR P13569 1/20 0.33
▸ GBA1 P04062 1/20 0.32
▸ TNIK Q9UKE5 1/20 0.32

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 0.91 IRAK4 (0.34) IRAK4INSRIGF1RALKDCLK1
SCHEMBL20547119 0.85 EGFR (0.43) ALKLRRK2
SCHEMBL19921065 0.85 PTK2 (0.40) INSRIGF1RALK
SCHEMBL20546237 0.85 ALK (0.49) INSRIGF1RALKLRRK2
SCHEMBL19921138 0.84 PLK1 (0.40) INSRIGF1RALKSTAT6
SCHEMBL19921093 0.83 TTK (0.50) IRAK4INSRIGF1RALKDCLK1
SCHEMBL20546169 0.82 IRAK4 (0.38) IRAK4STAT6
SCHEMBL20546935 0.80 NLRP3 (0.42) IRAK4STAT6
SCHEMBL19921190 0.79 IRAK4 (0.48) IRAK4ALK
SCHEMBL19921117 0.79 STAT6 (0.35) IRAK4STAT6

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
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

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 KHK 1071/4885IRAK4 2164/4885INSR 3191/4885

“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.

Send feedback