SCHEMBL19921077

SCHEMBL19921077

CCOc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(ccn2C)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK7 Q13164 5/20 0.54
▸ BRD4 O60885 3/20 0.54
▸ ALK Q9UM73 14/20 0.53
▸ INSR P06213 4/20 0.53
▸ ROS1 P08922 4/20 0.53
▸ BMPR1B O00238 2/20 0.53
▸ PLK4 O00444 2/20 0.53
▸ GAK O14976 2/20 0.53
▸ ERN1 O75460 2/20 0.53
▸ STK10 O94804 2/20 0.53
▸ ABL1 P00519 2/20 0.53
▸ EGFR P00533 2/20 0.53
▸ LCK P06239 2/20 0.53
▸ FYN P06241 2/20 0.53
▸ FES P07332 2/20 0.53
▸ YES1 P07947 2/20 0.53
▸ IGF1R P08069 2/20 0.53
▸ HCK P08631 2/20 0.53
▸ FER P16591 2/20 0.53
▸ EPHA2 P29317 2/20 0.53

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
SCHEMBL21150898 0.89 ALK (0.56) MAPK7BRD4ALKINSRROS1
SCHEMBL19921121 0.88 LRRK2 (0.52) MAPK7BRD4ALKINSRIGF1R
SCHEMBL19921183 0.88 LRRK2 (0.54) MAPK7BRD4ALKINSRIGF1R
SCHEMBL19921087 0.83 ALK (0.57) MAPK7ALKINSRROS1BMPR1B
SCHEMBL21150135 0.82 ALK (0.64) MAPK7BRD4ALKINSRROS1
SCHEMBL19921103 0.82 ALK (0.78) MAPK7BRD4ALKINSRROS1
SCHEMBL19921104 0.81 ALK (0.78) MAPK7ALKINSRROS1BMPR1B
SCHEMBL12729305 0.81 ALK (0.61) MAPK7ALKINSRROS1BMPR1B
SCHEMBL19921113 0.81 TTK (0.63) MAPK7ALKINSRROS1BMPR1B
SCHEMBL20547128 0.81 LRRK2 (0.54) MAPK7BRD4ALKINSRIGF1R

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 MAPK7 2710/4885BRD4 2933/4885ALK 1505/4885

“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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