SCHEMBL19921065

SCHEMBL19921065

CS(=O)(=O)c1ccccc1Nc1nc(N)nc2ccn(-c3ccc(N4CCC(O)CC4)cc3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 8/20 0.40
▸ JAK2 O60674 7/20 0.40
▸ JAK3 P52333 5/20 0.40
▸ TTK P33981 3/20 0.40
▸ ZAP70 P43403 1/20 0.40
▸ FES P07332 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ ALK Q9UM73 4/20 0.39
▸ INSR P06213 2/20 0.39
▸ IGF1R P08069 2/20 0.39
▸ CDK7 P50613 2/20 0.38
▸ CDK9 P50750 2/20 0.38
▸ GAK O14976 1/20 0.38
▸ INSRR P14616 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ LTK P29376 1/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ TNK2 Q07912 1/20 0.38
▸ TNK1 Q13470 1/20 0.38
▸ PTK2B Q14289 1/20 0.38

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
SCHEMBL19921093 0.91 TTK (0.50) PTK2JAK2JAK3TTKZAP70
SCHEMBL20547119 0.91 EGFR (0.43) PTK2JAK2JAK3ALKHDAC1
SCHEMBL19921175 0.89 JAK2 (0.51) PTK2JAK2JAK3ZAP70ALK
SCHEMBL19921106 0.87 STAT6 (0.45) PTK2JAK2JAK3JAK1KCNH2
SCHEMBL20546960 0.85 KHK (0.35) ALKINSRIGF1R
SCHEMBL20546237 0.85 ALK (0.49) PTK2JAK2FESFLT3ALK
SCHEMBL19921138 0.84 PLK1 (0.40) PTK2ALKINSRIGF1RMAPK1
SCHEMBL20546889 0.83 JAK2 (0.38) PTK2JAK2JAK3ALKCDK7
SCHEMBL19921084 0.82 IRAK4 (0.34) PTK2TTKFESFLT3ALK
SCHEMBL20547132 0.82 CDK7 (0.47) PTK2JAK2JAK3TTKZAP70

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 PTK2 4325/4885JAK2 89/4885JAK3 112/4885

“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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