SCHEMBL19921071

SCHEMBL19921071

CCOc1cc(N2CCC(O)CC2)ccc1Nc1nc(NCc2ccccc2SC)c2c(ccn2C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DCLK1 O15075 3/20 0.47
▸ MAPK7 Q13164 3/20 0.47
▸ LRRK2 Q5S007 3/20 0.47
▸ TNK2 Q07912 3/20 0.47
▸ PLK4 O00444 2/20 0.47
▸ PTK2 Q05397 2/20 0.47
▸ BRD4 O60885 1/20 0.47
▸ PI4KA P42356 1/20 0.47
▸ RPS6KA3 P51812 1/20 0.47
▸ TNK1 Q13470 1/20 0.47
▸ RPS6KA2 Q15349 1/20 0.47
▸ RPS6KA1 Q15418 1/20 0.47
▸ BRDT Q58F21 1/20 0.47
▸ DCLK2 Q8N568 1/20 0.47
▸ PI4KB Q9UBF8 1/20 0.47
▸ TTK P33981 7/20 0.46
▸ PLK1 P53350 2/20 0.46
▸ GAK O14976 1/20 0.46
▸ STK33 Q9BYT3 1/20 0.46
▸ PLK3 Q9H4B4 1/20 0.46

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
SCHEMBL19921122 0.88 PLK4 (0.47) DCLK1MAPK7LRRK2TNK2PLK4
SCHEMBL19921198 0.85 ALK (0.51) TNK2PTK2TTKALKINSR
SCHEMBL20547121 0.85 STAT6 (0.51) DCLK1LRRK2TNK2STAT6JAK2
SCHEMBL19921196 0.81 ALK (0.55) DCLK1MAPK7LRRK2TNK2PLK4
SCHEMBL19921127 0.80 ALK (0.50) DCLK1MAPK7LRRK2TNK2PLK4
SCHEMBL19921113 0.78 TTK (0.63) DCLK1MAPK7LRRK2TNK2PLK4
SCHEMBL19921165 0.78 ALK (0.49) TNK2PTK2TTKALKINSR
SCHEMBL19921070 0.77 STAT6 (0.43) DCLK1LRRK2TNK2STAT6JAK2
SCHEMBL22730041 0.74 IRAK4 (0.45) DCLK1LRRK2TNK2PTK2BRD4
SCHEMBL19921100 0.74 ALK (0.52) TNK2PTK2ALKINSRIGF1R

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 DCLK1 2383/4885MAPK7 2710/4885LRRK2 2861/4885

“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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