SCHEMBL19921199

SCHEMBL19921199

COc1cc(N2CCN(C)CC2)ccc1Nc1nc(Nc2ccccc2SC(C)C)c2c(ccn2C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 12/20 0.49
▸ IGF1R P08069 10/20 0.49
▸ INSR P06213 8/20 0.49
▸ EGFR P00533 4/20 0.49
▸ MAP3K7 O43318 2/20 0.47
▸ PTK2 Q05397 2/20 0.47
▸ AXL P30530 2/20 0.47
▸ BMPR1B O00238 1/20 0.47
▸ PLK4 O00444 1/20 0.47
▸ STK25 O00506 1/20 0.47
▸ RIOK3 O14730 1/20 0.47
▸ CHEK1 O14757 1/20 0.47
▸ CASK O14936 1/20 0.47
▸ AURKA O14965 1/20 0.47
▸ GAK O14976 1/20 0.47
▸ DCLK1 O15075 1/20 0.47
▸ MUSK O15146 1/20 0.47
▸ EPHB6 O15197 1/20 0.47
▸ PDPK1 O15530 1/20 0.47
▸ MAP3K13 O43283 1/20 0.47

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
SCHEMBL19921194 0.94 ALK (0.59) ALKIGF1RINSREGFRMAP3K7
SCHEMBL19921100 0.92 ALK (0.52) ALKIGF1RINSREGFRMAP3K7
SCHEMBL19921165 0.89 ALK (0.49) ALKIGF1RINSREGFRPTK2
SCHEMBL19921137 0.86 ALK (0.62) ALKIGF1RINSREGFRMAP3K7
SCHEMBL19921063 0.84 ALK (0.68) ALKIGF1RINSREGFRMAP3K7
SCHEMBL19921120 0.83 ALK (0.70) ALKIGF1RINSREGFRPTK2
SCHEMBL19921124 0.83 ALK (0.56) ALKIGF1RINSREGFRMAP3K7
SCHEMBL20546932 0.83 ALK (0.65) ALKIGF1RINSREGFRMAP3K7
SCHEMBL22985878 0.82 FES (0.61) ALKIGF1RINSREGFRMAP3K7
SCHEMBL19921198 0.81 ALK (0.51) 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 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 1505/4885IGF1R 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.

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