SCHEMBL19921080

SCHEMBL19921080

CC(C)S(=O)(=O)c1ccccc1CNc1nc(N)nc2ccn(-c3ccc(N4CCN(C)CC4)cc3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 9/20 0.43
▸ PTK2 Q05397 8/20 0.43
▸ JAK3 P52333 7/20 0.43
▸ HRH4 Q9H3N8 3/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.38
▸ ALK Q9UM73 3/20 0.38
▸ STAT6 P42226 2/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ BRD4 O60885 2/20 0.34
▸ BMPR1B O00238 1/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ GAK O14976 1/20 0.34
▸ ERN1 O75460 1/20 0.34
▸ STK10 O94804 1/20 0.34

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
SCHEMBL19921091 0.91 PTK2 (0.52) JAK2PTK2JAK3HRH4HRH3
SCHEMBL19921189 0.89 TTK (0.39) PTK2ALKSTAT6TLR7GAK
SCHEMBL19921220 0.88 ALK (0.42) JAK2PTK2JAK3ALKHTR6
SCHEMBL19921078 0.86 ALK (0.47) JAK2PTK2JAK3ALKBMPR1B
SCHEMBL20546906 0.86 TLR7 (0.35) HTR2ATLR7AURKB
SCHEMBL19921179 0.82 ALK (0.52) JAK2PTK2JAK3ALKBMPR1B
SCHEMBL19921188 0.81 PTK2 (0.52) JAK2PTK2JAK3STAT6BRD4
SCHEMBL19921106 0.80 STAT6 (0.45) JAK2PTK2JAK3STAT6TLR7
SCHEMBL19921153 0.79 JAK2 (0.44) JAK2PTK2JAK3HRH4HRH3
SCHEMBL19921175 0.78 JAK2 (0.51) JAK2PTK2JAK3ALKBRD4

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 JAK2 89/4885PTK2 4325/4885JAK3 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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