SCHEMBL15524790

SCHEMBL15524790

COC(=O)Cc1ccccc1C#Cc1nc(Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)ncc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCND3 P30281 2/20 0.57
▸ CCNK O75909 1/20 0.57
▸ CCNA2 P20248 1/20 0.57
▸ CDK2 P24941 1/20 0.57
▸ CDK9 P50750 1/20 0.57
▸ CDK6 Q00534 1/20 0.57
▸ CDK4 P11802 1/20 0.49
▸ CCND1 P24385 1/20 0.49
▸ CCND2 P30279 1/20 0.49
▸ JAK2 O60674 2/20 0.48
▸ JAK3 P52333 2/20 0.48
▸ SYK P43405 2/20 0.47
▸ MAPT P10636 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NAMPT P43490 1/20 0.43
▸ PTK2 Q05397 2/20 0.43
▸ NPC1 O15118 1/20 0.42

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
SCHEMBL14644047 0.91 CCND3 (0.51) CCND3CCNKCCNA2CDK2CDK9
SCHEMBL15524295 0.90 CDK2 (0.43) CCND3CCNKCCNA2CDK2CDK9
SCHEMBL15524542 0.85 FLT4 (0.45) CCND3CCNKCCNA2CDK2CDK9
SCHEMBL15524226 0.85 CCND3 (0.58) CCND3CCNKCCNA2CDK2CDK9
SCHEMBL15524822 0.84 JAK3 (0.46) CDK2CDK9JAK2JAK3PTK2
SCHEMBL15524261 0.82 CCNA2 (0.45) CCND3CCNKCCNA2CDK2CDK9
SCHEMBL14576448 0.82 PTK2 (0.52) CDK4CCND1JAK2SYKPTK2
SCHEMBL14643610 0.81 PTK2 (0.49) CCND3CCNKCCNA2CDK2CDK9
SCHEMBL15524198 0.81 PTK2 (0.49) JAK2JAK3MAPTNAMPTPTK2
SCHEMBL12478633 0.81 ALK (0.64) PTK2ALKEGFR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266864-B2 VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-02-23 — — US disclosed
US-9266864-B2 VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-02-23 — — US disclosed
US-20150225377-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2015-08-13 — — US disclosed
US-20150225377-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2015-08-13 — — US disclosed
US-20140080798-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-03-20 — — US disclosed
US-20140080798-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-03-20 — — US 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-20150225377-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR CCND3 136/4885CCNK 208/4885CCNA2 457/4885
US-20140080798-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR CCND3 162/4885CCNK 133/4885CCNA2 317/4885

“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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