SCHEMBL18843511

SCHEMBL18843511

COc1cc(N2CCC(N3CCOCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2cccnc2S(=O)(=O)C(C)C)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 18/20 1.00
▸ INSR P06213 2/20 0.70
▸ IGF1R P08069 2/20 0.70
▸ ZAP70 P43403 2/20 0.70
▸ EGFR P00533 2/20 0.70
▸ BMPR1B O00238 1/20 0.70
▸ PLK4 O00444 1/20 0.70
▸ STK25 O00506 1/20 0.70
▸ RIOK3 O14730 1/20 0.70
▸ CHEK1 O14757 1/20 0.70
▸ CASK O14936 1/20 0.70
▸ AURKA O14965 1/20 0.70
▸ GAK O14976 1/20 0.70
▸ DCLK1 O15075 1/20 0.70
▸ MUSK O15146 1/20 0.70
▸ EPHB6 O15197 1/20 0.70
▸ PDPK1 O15530 1/20 0.70
▸ MAP3K13 O43283 1/20 0.70
▸ DAPK3 O43293 1/20 0.70
▸ MAP3K7 O43318 1/20 0.70

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
SCHEMBL18843515 0.94 ALK (0.88) ALKINSRIGF1RZAP70EGFR
SCHEMBL18843519 0.92 ALK (1.00) ALKINSRIGF1RZAP70EGFR
SCHEMBL18843520 0.90 ALK (1.00) ALKINSRIGF1RZAP70EGFR
SCHEMBL18843513 0.89 ALK (1.00) ALKINSRIGF1RZAP70EGFR
SCHEMBL18843517 0.87 ALK (1.00) ALKINSRIGF1RZAP70EGFR
SCHEMBL18843516 0.87 ALK (1.00) ALKINSRIGF1RZAP70EGFR
SCHEMBL18843487 0.86 ALK (1.00) ALKINSRIGF1RZAP70EGFR
SCHEMBL18843512 0.86 ALK (0.87) ALKINSRIGF1RZAP70EGFR
SCHEMBL12780509 0.85 ALK (0.91) ALKINSRIGF1RZAP70EGFR
SCHEMBL21847005 0.85 EGFR (0.87) ALKINSRIGF1RZAP70EGFR

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 992/4885IGF1R 2334/4885

“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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