SCHEMBL20546932

SCHEMBL20546932

COc1cc(N2CCN(C)CC2)ccc1Nc1nc(Nc2ccccc2S(C)(=O)=O)c2c(ccn2C)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 12/20 0.65
▸ IGF1R P08069 8/20 0.65
▸ INSR P06213 7/20 0.65
▸ ZAP70 P43403 2/20 0.58
▸ EGFR P00533 7/20 0.57
▸ PTK2 Q05397 3/20 0.56
▸ PTK2B Q14289 3/20 0.56
▸ TTK P33981 3/20 0.56
▸ BMPR1B O00238 2/20 0.56
▸ PLK4 O00444 2/20 0.56
▸ GAK O14976 2/20 0.56
▸ ERN1 O75460 2/20 0.56
▸ STK10 O94804 2/20 0.56
▸ ABL1 P00519 2/20 0.56
▸ LCK P06239 2/20 0.56
▸ FYN P06241 2/20 0.56
▸ FES P07332 2/20 0.56
▸ YES1 P07947 2/20 0.56
▸ HCK P08631 2/20 0.56
▸ ROS1 P08922 2/20 0.56

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
SCHEMBL19921184 0.95 ALK (0.74) ALKIGF1RINSRZAP70EGFR
SCHEMBL19921063 0.91 ALK (0.68) ALKIGF1RINSRZAP70EGFR
SCHEMBL19921081 0.88 ALK (0.54) ALKIGF1RINSRZAP70EGFR
SCHEMBL19921104 0.87 ALK (0.78) ALKIGF1RINSRZAP70EGFR
SCHEMBL19921155 0.86 EGFR (0.74) ALKIGF1RINSRZAP70EGFR
SCHEMBL19867179 0.86 ALK (0.70) ALKIGF1RINSRZAP70EGFR
SCHEMBL19921100 0.86 ALK (0.52) ALKIGF1RINSREGFRPTK2
SCHEMBL19921112 0.86 PTK2 (0.62) ALKIGF1RINSREGFRPTK2
SCHEMBL19921120 0.85 ALK (0.70) ALKIGF1RINSREGFRPTK2
SCHEMBL19921124 0.85 ALK (0.56) ALKIGF1RINSREGFRPTK2

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 2 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

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 1505/4885IGF1R 4466/4885INSR 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.

Send feedback