SCHEMBL18843518

SCHEMBL18843518

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccsc2S(=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 16/20 1.00
▸ INSR P06213 10/20 0.78
▸ IGF1R P08069 9/20 0.78
▸ EGFR P00533 6/20 0.78
▸ FGFR1 P11362 3/20 0.78
▸ FGFR2 P21802 3/20 0.78
▸ FGFR4 P22455 3/20 0.78
▸ FGFR3 P22607 3/20 0.78
▸ MET P08581 3/20 0.78
▸ CHEK1 O14757 2/20 0.78
▸ AURKA O14965 2/20 0.78
▸ NUAK1 O60285 2/20 0.78
▸ JAK2 O60674 2/20 0.78
▸ STK10 O94804 2/20 0.78
▸ PRKD3 O94806 2/20 0.78
▸ CHEK2 O96017 2/20 0.78
▸ ABL1 P00519 2/20 0.78
▸ ERBB2 P04626 2/20 0.78
▸ LCK P06239 2/20 0.78
▸ FYN P06241 2/20 0.78

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
SCHEMBL18843491 0.93 ALK (0.87) ALKINSRIGF1REGFRFGFR1
SCHEMBL18843512 0.93 ALK (0.87) ALKINSRIGF1REGFRFGFR1
SCHEMBL18843604 0.92 ALK (1.00) ALKINSRIGF1REGFRFGFR1
SCHEMBL18843602 0.90 ALK (0.81) ALKINSRIGF1REGFRFGFR1
SCHEMBL18843510 0.88 ALK (0.92) ALKINSRIGF1REGFRAURKA
Tae-684 SCHEMBL29641017 0.88 ALK (1.00) ALKINSRIGF1REGFRFGFR1
Tae-684 SCHEMBL282775 0.88 ALK (1.00) ALKINSRIGF1REGFRFGFR1
SCHEMBL18843514 0.88 ALK (0.78) ALKINSRIGF1REGFRFGFR1
SCHEMBL18843519 0.86 ALK (1.00) ALKINSRIGF1REGFRFGFR1
SCHEMBL21709643 0.85 ALK (0.80) ALKINSRIGF1REGFRFGFR1

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-3372594-B1 PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER HUMANWELL HEALTHCARE GROUP CO LTD (CN) 2021-07-21 — — EP disclosed
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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