SCHEMBL16946756

SCHEMBL16946756

CCOC(=O)c1cnn2ccc(N(C)Cc3cc(F)ccc3SCCNC(=O)OC(C)(C)C)nc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 10/20 0.43
▸ JAK2 O60674 6/20 0.40
▸ TGFBR1 P36897 3/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ IDO1 P14902 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.33

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
SCHEMBL16936008 0.87 NTRK1 (0.43) NTRK1JAK2TGFBR1ADORA3ADORA2A
SCHEMBL16936087 0.83 NTRK1 (0.45) NTRK1JAK2TGFBR1KDM4ENPC1
SCHEMBL16946989 0.80 NTRK1 (0.40) NTRK1JAK2TGFBR1ADORA3ADORA2A
SCHEMBL16935988 0.80 NTRK1 (0.49) NTRK1JAK2TGFBR1KDM4ENPC1
SCHEMBL29511265 0.80 NTRK1 (0.49) NTRK1JAK2TGFBR1KDM4ENPC1
SCHEMBL16936088 0.79 NTRK1 (0.44) NTRK1JAK2ADORA3ADORA2ABRD4
SCHEMBL16946991 0.79 NTRK1 (0.39) NTRK1JAK2TGFBR1ADORA3ADORA2A
SCHEMBL16935987 0.79 NTRK1 (0.48) NTRK1JAK2TGFBR1KDM4ENPC1
SCHEMBL16946746 0.79 NTRK1 (0.48) NTRK1JAK2TGFBR1KDM4ENPC1
SCHEMBL30092502 0.79 NTRK1 (0.48) NTRK1JAK2TGFBR1KDM4ENPC1

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 10 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
US-20190169207-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES Turning Point Therapeutics, Inc. 2019-06-06 — — US disclosed
EP-3097107-B1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES TP THERAPEUTICS INC (US) 2019-04-17 — — EP disclosed
US-10246466-B2 Diaryl macrocycles as modulators of protein kinases TP THERAPEUTICS, INC. (US) 2019-04-02 — — US disclosed
US-20170334929-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES Turning Point Therapeutics, Inc. 2017-11-23 — — US disclosed
US-9714258-B2 Diaryl macrocycles as modulators of protein kinases TP THERAPEUTICS, INC. (US) 2017-07-25 — — US disclosed
US-20170002023-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES TP THERAPEUTICS, INC. (US) 2017-01-05 — — 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 (5 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-20190169207-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, DAPK2 NTRK1 935/4885JAK2 85/4885TGFBR1 3933/4885
US-20170334929-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 NTRK1 1072/4885JAK2 60/4885TGFBR1 4041/4885
US-20200216465-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 NTRK1 1072/4885JAK2 60/4885TGFBR1 4041/4885
US-10246466-B2 Diaryl macrocycles as modulators of protein kinases MAP3K20, LCK, MAP3K1 NTRK1 1072/4885JAK2 60/4885TGFBR1 4041/4885
US-20170002023-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 NTRK1 1072/4885JAK2 60/4885TGFBR1 4041/4885

“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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