SCHEMBL18843559

SCHEMBL18843559

COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 18/20 0.87
▸ ROS1 P08922 5/20 0.87
▸ INSR P06213 4/20 0.87
▸ EGFR P00533 3/20 0.87
▸ IGF1R P08069 3/20 0.87
▸ ZAP70 P43403 2/20 0.87
▸ FGFR1 P11362 2/20 0.87
▸ FGFR2 P21802 2/20 0.87
▸ FGFR4 P22455 2/20 0.87
▸ FGFR3 P22607 2/20 0.87
▸ BMPR1B O00238 1/20 0.87
▸ PLK4 O00444 1/20 0.87
▸ STK25 O00506 1/20 0.87
▸ RIOK3 O14730 1/20 0.87
▸ CHEK1 O14757 1/20 0.87
▸ CASK O14936 1/20 0.87
▸ AURKA O14965 1/20 0.87
▸ GAK O14976 1/20 0.87
▸ DCLK1 O15075 1/20 0.87
▸ MUSK O15146 1/20 0.87

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
SCHEMBL13394910 0.98 ALK (0.84) ALKROS1INSREGFRIGF1R
Tae-684 SCHEMBL29641017 0.93 ALK (1.00) ALKROS1INSREGFRIGF1R
Tae-684 SCHEMBL282775 0.93 ALK (1.00) ALKROS1INSREGFRIGF1R
SCHEMBL29316154 0.92 ALK (0.81) ALKROS1INSREGFRIGF1R
SCHEMBL13394913 0.91 ALK (0.74) ALKROS1INSREGFRIGF1R
SCHEMBL21815096 0.91 ALK (0.79) ALKROS1INSREGFRIGF1R
SCHEMBL381697 0.91 ZAP70 (0.76) ALKROS1INSREGFRIGF1R
SCHEMBL11916458 0.90 ALK (0.80) ALKROS1INSREGFRIGF1R
SCHEMBL30123962 0.89 EGFR (0.77) ALKROS1INSREGFRIGF1R
SCHEMBL26451583 0.89 EGFR (0.77) ALKROS1INSREGFRIGF1R

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 1/4885ROS1 88/4885INSR 992/4885

“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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