SCHEMBL18843550

SCHEMBL18843550

COc1cc(CN2CCC(N(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccsc2S(=O)(=O)C(C)C)n1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 16/20 0.78
▸ ROS1 P08922 5/20 0.54
▸ MET P08581 3/20 0.54
▸ EGFR P00533 2/20 0.53
▸ ZAP70 P43403 1/20 0.51
▸ PLK1 P53350 1/20 0.51
▸ AURKA O14965 1/20 0.50
▸ INSR P06213 1/20 0.50
▸ IGF1R P08069 1/20 0.50
▸ EML4 Q9HC35 1/20 0.50

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
SCHEMBL18843510 0.89 ALK (0.92) ALKROS1EGFRZAP70PLK1
SCHEMBL18843546 0.87 ALK (1.00) ALKROS1METEGFRZAP70
SCHEMBL18843506 0.86 ALK (1.00) ALKEGFR
SCHEMBL18843604 0.85 ALK (1.00) ALKROS1METEGFRZAP70
SCHEMBL18843603 0.84 ALK (0.83) ALKROS1EGFRZAP70PLK1
SCHEMBL18843491 0.80 ALK (0.87) ALKROS1METEGFRZAP70
SCHEMBL18843602 0.80 ALK (0.81) ALKROS1METEGFRZAP70
SCHEMBL18843514 0.79 ALK (0.78) ALKROS1METEGFRZAP70
SCHEMBL18843518 0.78 ALK (1.00) ALKROS1METEGFRZAP70
SCHEMBL18843548 0.77 ALK (1.00) ALKROS1METEGFRZAP70

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 88/4885MET 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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