SCHEMBL18843603

SCHEMBL18843603

CC(C)Oc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccsc2S(=O)(=O)C(C)C)n1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 13/20 0.83
▸ INSR P06213 2/20 0.62
▸ FGFR1 P11362 1/20 0.62
▸ FGFR2 P21802 1/20 0.62
▸ FGFR4 P22455 1/20 0.62
▸ FGFR3 P22607 1/20 0.62
▸ EGFR P00533 2/20 0.61
▸ PLK1 P53350 3/20 0.58
▸ AURKA O14965 1/20 0.57
▸ IGF1R P08069 1/20 0.57
▸ ROS1 P08922 1/20 0.57
▸ EML4 Q9HC35 1/20 0.57
▸ ZAP70 P43403 2/20 0.56

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 0.95 ALK (0.92) ALKINSREGFRPLK1AURKA
SCHEMBL18843604 0.91 ALK (1.00) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL12729778 0.87 ALK (0.81) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL18843602 0.86 ALK (0.81) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL18843545 0.85 ALK (1.00) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL18843491 0.85 ALK (0.87) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL18843550 0.84 ALK (0.78) ALKINSREGFRPLK1AURKA
SCHEMBL18843514 0.84 ALK (0.78) ALKINSRFGFR1FGFR3EGFR
SCHEMBL18843518 0.83 ALK (1.00) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL12780122 0.83 ZAP70 (0.76) ALKINSRFGFR1FGFR2FGFR4

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 7 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
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
US-10695347-B2 Pyrimidine derivative and use thereof HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2020-06-30 — — US disclosed
US-20180338973-A1 PYRIMIDINE DERIVATIVE AND USE THEREOF HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2018-11-29 — — US disclosed
EP-3372594-A1 PYRIMIDINE DERIVATIVE AND USE THEREOF Humanwell Healthcare (Group) Co., Ltd. (CN) 2018-09-12 — — EP 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 (2 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-20180338973-A1 PYRIMIDINE DERIVATIVE AND USE THEREOF ALK, DPYD, TYMP ALK 1/4885INSR 992/4885FGFR1 38/4885
US-10695347-B2 Pyrimidine derivative and use thereof ALK, DPYD, TYMP ALK 1/4885INSR 992/4885FGFR1 38/4885

“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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