SCHEMBL18843608

SCHEMBL18843608

Cc1cc(Nc2ncc(Cl)c(Nc3cccnc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 20/20 0.69
▸ ROS1 P08922 1/20 0.60
▸ PTK2 Q05397 1/20 0.60
▸ INSR P06213 6/20 0.49
▸ KCNH2 Q12809 3/20 0.49

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
SCHEMBL18843557 0.95 ALK (0.77) ALKROS1PTK2
SCHEMBL18843544 0.88 ALK (0.77) ALKROS1PTK2INSRKCNH2
SCHEMBL22166560 0.86 ALK (0.70) ALKINSRKCNH2
SCHEMBL18843597 0.82 ALK (1.00) ALKROS1PTK2INSR
SCHEMBL18843556 0.82 ALK (1.00) ALKROS1PTK2INSRKCNH2
SCHEMBL22166557 0.81 ALK (0.79) ALK
SCHEMBL28427764 0.80 ALK (0.67) ALKINSRKCNH2
SCHEMBL18843547 0.77 ALK (1.00) ALKINSR
SCHEMBL22566704 0.76 ALK (0.61) ALKROS1PTK2INSRKCNH2
SCHEMBL21050561 0.76 ALK (0.88) ALKROS1PTK2INSRKCNH2

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 1/4885ROS1 88/4885PTK2 2811/4885

“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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