SCHEMBL18843548

SCHEMBL18843548

COc1cc(CN2CCC(N(C)C)CC2)ccc1Nc1ncc(OC(F)F)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 17/20 1.00
▸ ROS1 P08922 6/20 0.54
▸ MET P08581 3/20 0.54
▸ ZAP70 P43403 1/20 0.52
▸ PTK2 Q05397 2/20 0.51
▸ EGFR P00533 2/20 0.51

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
SCHEMBL18843612 0.90 ALK (0.82) ALKROS1METZAP70EGFR
SCHEMBL18843546 0.90 ALK (1.00) ALKROS1METZAP70PTK2
SCHEMBL23654269 0.89 ALK (0.79) ALKROS1METZAP70PTK2
SCHEMBL18843551 0.88 ALK (0.79) ALKROS1METZAP70PTK2
SCHEMBL18843542 0.85 ALK (0.74) ALKROS1METZAP70PTK2
SCHEMBL18843541 0.84 ALK (0.83) ALKZAP70
SCHEMBL18843552 0.84 ALK (0.72) ALKROS1METZAP70PTK2
SCHEMBL18843506 0.80 ALK (1.00) ALKEGFR
SCHEMBL18843540 0.80 ALK (0.82) ALKROS1METZAP70PTK2
SCHEMBL18843489 0.78 ZAP70 (0.82) ALKROS1METZAP70PTK2

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 88/4885MET 874/4885

“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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