SCHEMBL16947089

SCHEMBL16947089

CNCCOc1ccc(F)cc1C(C)Oc1ccc2ncc(C(=O)O)n2n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MKNK1 Q9BUB5 8/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.36
▸ TGFBR1 P36897 5/20 0.35
▸ TGFBR2 P37173 4/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ NTRK1 P04629 1/20 0.33
▸ F2R P25116 1/20 0.33
▸ FYN P06241 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ PIK3CA P42336 1/20 0.32

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
SCHEMBL18352908 1.00 KDM4E (0.39) KDM4ELMNATDP1MKNK1MKNK2
SCHEMBL18353076 0.82 AAK1 (0.37) MKNK1TGFBR1TGFBR2ALKF2R
SCHEMBL16947094 0.82 AAK1 (0.37) MKNK1TGFBR1TGFBR2ALKF2R
SCHEMBL18352379 0.81 SCN9A (0.40) MKNK1MKNK2TGFBR1NTRK1F2R
SCHEMBL30092492 0.78 SCN9A (0.38) KDM4EMKNK1MKNK2TGFBR1F2R
SCHEMBL16935982 0.78 SCN9A (0.38) KDM4EMKNK1MKNK2TGFBR1F2R
SCHEMBL19631449 0.78 AAK1 (0.34) —
SCHEMBL21076797 0.76 NTRK1 (0.41) KDM4ELMNATDP1NTRK1
SCHEMBL16947090 0.76 NTRK1 (0.41) KDM4ELMNATDP1NTRK1
SCHEMBL21941640 0.75 SCN9A (0.40) MKNK1MKNK2TGFBR1NTRK1

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
US-20200216465-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES TURNING POINT THERAPEUTICS INC (US) 2020-07-09 — — US disclosed
EP-3636649-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES Turning Point Therapeutics, Inc. (US) 2020-04-15 — — EP disclosed
EP-3636650-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES Turning Point Therapeutics, Inc. (US) 2020-04-15 — — EP disclosed
EP-3097107-B1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES TP THERAPEUTICS INC (US) 2019-04-17 — — EP disclosed
US-20170334929-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES Turning Point Therapeutics, Inc. 2017-11-23 — — US disclosed
US-20170334929-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES Turning Point Therapeutics, Inc. 2017-11-23 — — US disclosed
WO-2015112806-A2 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES TP THERAPEUTICS, INC. (US) 2015-07-30 — — 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-20170334929-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 KDM4E 1402/4885LMNA 4097/4885TDP1 1421/4885
US-20200216465-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 KDM4E 1402/4885LMNA 4097/4885TDP1 1421/4885

“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.

Send feedback