SCHEMBL18843602

SCHEMBL18843602

COc1cc(N2CCC(O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccsc2S(=O)(=O)C(C)C)n1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 19/20 0.81
▸ ZAP70 P43403 2/20 0.64
▸ INSR P06213 3/20 0.63
▸ IGF1R P08069 3/20 0.63
▸ BMPR1B O00238 1/20 0.63
▸ PLK4 O00444 1/20 0.63
▸ STK25 O00506 1/20 0.63
▸ RIOK3 O14730 1/20 0.63
▸ CHEK1 O14757 1/20 0.63
▸ CASK O14936 1/20 0.63
▸ AURKA O14965 1/20 0.63
▸ GAK O14976 1/20 0.63
▸ DCLK1 O15075 1/20 0.63
▸ MUSK O15146 1/20 0.63
▸ EPHB6 O15197 1/20 0.63
▸ PDPK1 O15530 1/20 0.63
▸ MAP3K13 O43283 1/20 0.63
▸ DAPK3 O43293 1/20 0.63
▸ MAP3K7 O43318 1/20 0.63
▸ RIPK2 O43353 1/20 0.63

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 0.92 ALK (0.87) ALKZAP70INSRIGF1RBMPR1B
SCHEMBL18843510 0.91 ALK (0.92) ALKZAP70INSRIGF1RAURKA
SCHEMBL18843514 0.90 ALK (0.78) ALKZAP70INSRIGF1RPLK4
SCHEMBL18843518 0.90 ALK (1.00) ALKZAP70INSRIGF1RBMPR1B
SCHEMBL18843512 0.89 ALK (0.87) ALKZAP70INSRIGF1RBMPR1B
SCHEMBL18843604 0.87 ALK (1.00) ALKZAP70INSRIGF1RBMPR1B
SCHEMBL18843603 0.86 ALK (0.83) ALKZAP70INSRIGF1RAURKA
SCHEMBL18843513 0.85 ALK (1.00) ALKZAP70INSRIGF1RBMPR1B
SCHEMBL18843550 0.80 ALK (0.78) ALKZAP70INSRIGF1RAURKA
SCHEMBL18843555 0.79 ALK (0.75) ALKZAP70INSRIGF1RBMPR1B

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 1/4885ZAP70 239/4885INSR 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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