SCHEMBL19921078

SCHEMBL19921078

CC(C)S(=O)(=O)c1ccccc1Nc1nc(N)nc2ccn(-c3ccc(N4CCN(C)CC4)cc3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 13/20 0.47
▸ PTK2 Q05397 6/20 0.43
▸ INSR P06213 3/20 0.43
▸ JAK2 O60674 3/20 0.43
▸ JAK3 P52333 3/20 0.43
▸ BMPR1B O00238 2/20 0.43
▸ PLK4 O00444 2/20 0.43
▸ GAK O14976 2/20 0.43
▸ ERN1 O75460 2/20 0.43
▸ STK10 O94804 2/20 0.43
▸ ABL1 P00519 2/20 0.43
▸ EGFR P00533 2/20 0.43
▸ LCK P06239 2/20 0.43
▸ FYN P06241 2/20 0.43
▸ FES P07332 2/20 0.43
▸ YES1 P07947 2/20 0.43
▸ IGF1R P08069 2/20 0.43
▸ HCK P08631 2/20 0.43
▸ ROS1 P08922 2/20 0.43
▸ FER P16591 2/20 0.43

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
SCHEMBL19921175 0.90 JAK2 (0.51) ALKPTK2INSRJAK2JAK3
SCHEMBL19921093 0.89 TTK (0.50) ALKPTK2INSRJAK2JAK3
SCHEMBL19921157 0.87 ALK (0.52) ALKPTK2INSRJAK2JAK3
SCHEMBL19921080 0.86 JAK2 (0.43) ALKPTK2INSRJAK2JAK3
SCHEMBL20546930 0.85 CDK7 (0.39) ALKPTK2EGFRROS1MET
SCHEMBL19921123 0.85 EGFR (0.47) ALKPTK2INSRJAK2JAK3
SCHEMBL20546874 0.83 TTK (0.43) ALKPTK2INSRMETTTK
SCHEMBL19921173 0.82 ALK (0.38) ALKEGFRROS1METCDK7
SCHEMBL20546956 0.81 PTK2 (0.51) ALKPTK2INSRJAK2STK10
SCHEMBL19921219 0.81 ALK (0.62) ALKPTK2INSRJAK2JAK3

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 1505/4885PTK2 4325/4885INSR 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.

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