SCHEMBL19921087

SCHEMBL19921087

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 15/20 0.57
▸ ROS1 P08922 4/20 0.57
▸ INSR P06213 3/20 0.57
▸ FES P07332 3/20 0.57
▸ FLT3 P36888 3/20 0.57
▸ PTK2 Q05397 3/20 0.57
▸ TTK P33981 3/20 0.57
▸ FGFR1 P11362 2/20 0.57
▸ FGFR2 P21802 2/20 0.57
▸ FGFR4 P22455 2/20 0.57
▸ FGFR3 P22607 2/20 0.57
▸ BMPR1B O00238 2/20 0.57
▸ PLK4 O00444 2/20 0.57
▸ GAK O14976 2/20 0.57
▸ ERN1 O75460 2/20 0.57
▸ STK10 O94804 2/20 0.57
▸ ABL1 P00519 2/20 0.57
▸ EGFR P00533 2/20 0.57
▸ LCK P06239 2/20 0.57
▸ FYN P06241 2/20 0.57

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 0.90 TTK (0.63) ALKROS1INSRFESFLT3
SCHEMBL19921127 0.88 ALK (0.50) ALKINSRPTK2TTKPLK4
SCHEMBL19921063 0.85 ALK (0.68) ALKROS1INSRFESFLT3
SCHEMBL19921104 0.84 ALK (0.78) ALKROS1INSRFESFLT3
SCHEMBL19921077 0.83 MAPK7 (0.54) ALKROS1INSRFESFLT3
SCHEMBL19921196 0.83 ALK (0.55) ALKROS1INSRFESFLT3
SCHEMBL19867338 0.79 ALK (0.71) ALKROS1INSRFESFLT3
SCHEMBL12781735 0.79 ALK (0.88) ALKROS1INSRFESFLT3
SCHEMBL21099488 0.79 ALK (0.73) ALKROS1INSRFESFLT3
SCHEMBL12780077 0.78 ZAP70 (0.74) ALKROS1INSRFESFLT3

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 1505/4885ROS1 3512/4885INSR 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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