SCHEMBL19921196

SCHEMBL19921196

CCOc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2S(C)(=O)=O)c2c(ccn2C)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 10/20 0.55
▸ INSR P06213 6/20 0.55
▸ IGF1R P08069 5/20 0.55
▸ TTK P33981 4/20 0.53
▸ PLK4 O00444 3/20 0.52
▸ DCLK1 O15075 2/20 0.52
▸ RPS6KA3 P51812 2/20 0.52
▸ PTK2 Q05397 2/20 0.52
▸ TNK2 Q07912 2/20 0.52
▸ MAPK7 Q13164 2/20 0.52
▸ TNK1 Q13470 2/20 0.52
▸ RPS6KA2 Q15349 2/20 0.52
▸ RPS6KA1 Q15418 2/20 0.52
▸ LRRK2 Q5S007 2/20 0.52
▸ DCLK2 Q8N568 2/20 0.52
▸ PI4KB Q9UBF8 2/20 0.52
▸ BRD4 O60885 1/20 0.52
▸ PI4KA P42356 1/20 0.52
▸ BRDT Q58F21 1/20 0.52
▸ FES P07332 2/20 0.51

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
SCHEMBL19921113 0.93 TTK (0.63) ALKINSRIGF1RTTKPLK4
SCHEMBL19921122 0.91 PLK4 (0.47) ALKINSRIGF1RTTKPLK4
SCHEMBL20546932 0.85 ALK (0.65) ALKINSRIGF1RTTKPLK4
SCHEMBL19921184 0.84 ALK (0.74) ALKINSRIGF1RTTKPLK4
SCHEMBL19921167 0.84 PTK2 (0.51) ALKINSRIGF1RTTKDCLK1
SCHEMBL19921087 0.83 ALK (0.57) ALKINSRIGF1RTTKPLK4
SCHEMBL19921071 0.81 DCLK1 (0.47) ALKINSRIGF1RTTKPLK4
SCHEMBL21099488 0.79 ALK (0.73) ALKINSRIGF1RTTKPLK4
SCHEMBL19921127 0.78 ALK (0.50) ALKINSRIGF1RTTKPLK4
SCHEMBL19921104 0.78 ALK (0.78) ALKINSRIGF1RTTKPLK4

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 ALK 1505/4885INSR 3191/4885IGF1R 4466/4885

“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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