SCHEMBL14643610

SCHEMBL14643610

COC(=O)Cc1ccccc1C#Cc1nc(Nc2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)ncc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 13/20 0.49
▸ CCNA2 P20248 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CDK9 P50750 2/20 0.41
▸ CCNK O75909 1/20 0.41
▸ CCND3 P30281 1/20 0.41
▸ CDK6 Q00534 1/20 0.41
▸ ALK Q9UM73 2/20 0.39
▸ MAPT P10636 1/20 0.38
▸ FLT4 P35916 1/20 0.38
▸ CCNT1 O60563 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ AXL P30530 1/20 0.36

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
SCHEMBL12478012 0.92 PTK2 (0.51) PTK2MAPTAXL
SCHEMBL14644047 0.90 CCND3 (0.51) PTK2CCNA2CDK2CDK9CCNK
SCHEMBL15524261 0.90 CCNA2 (0.45) PTK2CCNA2CDK2CDK9CCNK
SCHEMBL14576576 0.88 PTK2 (0.51) PTK2FLT4
SCHEMBL15524518 0.86 PTK2 (0.45) PTK2FLT4
SCHEMBL14643607 0.85 PTK2 (0.68) PTK2FLT4
SCHEMBL14576814 0.85 PTK2 (0.48) PTK2FLT4
SCHEMBL14643595 0.84 PTK2 (0.50) PTK2FLT4
SCHEMBL15588222 0.84 PTK2 (0.43) PTK2ALKFLT4
SCHEMBL15524212 0.84 FLT4 (0.50) PTK2FLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9421205-B2 FAK inhibitors Cancer Therapeutics CRC Pty Ltd. (AU) 2016-08-23 — — US disclosed
US-20150231135-A1 FAK INHIBITORS Cancer Therapeutics CRC Pty Ltd. (AU) 2015-08-20 — — US disclosed
US-9012461-B2 FAK inhibitors CANCER THERAPEUTICS CRC PTY LTD (AU) 2015-04-21 — — US disclosed
US-20130017194-A1 FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2013-01-17 — — 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-20130017194-A1 FAK INHIBITORS PTK2, CTTN, SRC PTK2 1/4885CCNA2 268/4885CDK2 11/4885
US-20150231135-A1 FAK INHIBITORS PTK2, CTTN, SRC PTK2 1/4885CCNA2 351/4885CDK2 26/4885

“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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