SCHEMBL18843601

SCHEMBL18843601

COc1cc(N2CCC(N3CCC(N(C)C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 16/20 0.85
INSR P06213 4/20 0.83
ZAP70 P43403 3/20 0.83
IGF1R P08069 3/20 0.83
EGFR P00533 3/20 0.83
FGFR1 P11362 2/20 0.83
FGFR2 P21802 2/20 0.83
FGFR4 P22455 2/20 0.83
FGFR3 P22607 2/20 0.83
BMPR1B O00238 1/20 0.83
PLK4 O00444 1/20 0.83
STK25 O00506 1/20 0.83
RIOK3 O14730 1/20 0.83
CHEK1 O14757 1/20 0.83
CASK O14936 1/20 0.83
AURKA O14965 1/20 0.83
GAK O14976 1/20 0.83
DCLK1 O15075 1/20 0.83
MUSK O15146 1/20 0.83
EPHB6 O15197 1/20 0.83

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
SCHEMBL18843489 0.96 ZAP70 (0.82) ALKINSRZAP70IGF1REGFR
Tae-684 SCHEMBL282775 0.91 ALK (1.00) ALKINSRZAP70IGF1REGFR
Tae-684 SCHEMBL29641017 0.91 ALK (1.00) ALKINSRZAP70IGF1REGFR
SCHEMBL12729778 0.91 ALK (0.81) ALKINSRZAP70IGF1REGFR
SCHEMBL21478104 0.90 ALK (0.87) ALKINSRZAP70IGF1REGFR
SCHEMBL20805541 0.90 ZAP70 (0.80) ALKINSRZAP70IGF1REGFR
SCHEMBL24301100 0.90 ALK (0.87) ALKINSRZAP70IGF1REGFR
SCHEMBL22493267 0.89 ALK (0.85) ALKINSRZAP70IGF1REGFR
SCHEMBL11916498 0.89 ALK (0.83) ALKINSRZAP70IGF1REGFR
SCHEMBL4098937 0.89 ALK (0.85) ALKINSRZAP70IGF1REGFR

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
US-10695347-B2 Pyrimidine derivative and use thereof HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2020-06-30 US disclosed
WO-2017076355-A1 PYRIMIDINE DERIVATIVE AND USE THEREOF 湖北生物医药产业技术研究院有限公司 2017-05-11 WO disclosed

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-10695347-B2 Pyrimidine derivative and use thereof ALK, DPYD, TYMP ALK 1/4885INSR 992/4885ZAP70 239/4885

“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.