SCHEMBL16935968

SCHEMBL16935968

CN(Cc1c(OCCN)ccc(F)c1Cl)c1ccn2ncc(C(=O)O)c2n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 2/20 0.40
▸ NTRK1 P04629 6/20 0.39
▸ IRAK4 Q9NWZ3 7/20 0.37
▸ JAK2 O60674 4/20 0.35
▸ TYK2 P29597 2/20 0.34
▸ SMPD3 Q9NY59 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ CSNK2A2 P19784 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ NTRK3 Q16288 1/20 0.32
▸ NTRK2 Q16620 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
SCHEMBL16935995 0.85 SCN9A (0.41) TGFBR1NTRK1IRAK4JAK2CSNK2A2
SCHEMBL16936085 0.84 NTRK1 (0.45) TGFBR1NTRK1IRAK4JAK2NTRK3
SCHEMBL21045868 0.80 IRAK4 (0.41) TGFBR1NTRK1IRAK4
SCHEMBL16936000 0.78 TGFBR1 (0.40) TGFBR1NTRK1JAK2CSNK2A1
SCHEMBL16946714 0.76 IRAK4 (0.42) TGFBR1NTRK1IRAK4JAK2JAK1
SCHEMBL21229250 0.76 NTRK1 (0.43) NTRK1IRAK4JAK2SMPD3NTRK3
SCHEMBL21838100 0.69 NTRK1 (0.47) TGFBR1NTRK1JAK2
SCHEMBL16936088 0.69 NTRK1 (0.44) NTRK1JAK2CSNK2A2CSNK2A1
SCHEMBL16946723 0.69 NTRK1 (0.50) TGFBR1NTRK1JAK2TYK2SMPD3
SCHEMBL16947003 0.69 NTRK1 (0.32) NTRK1NTRK3NTRK2

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 18 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-3636650-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES Turning Point Therapeutics, Inc. (US) 2020-04-15 — — EP disclosed
EP-3636649-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES Turning Point Therapeutics, Inc. (US) 2020-04-15 — — EP disclosed
US-10618912-B2 Diaryl macrocycles as modulators of protein kinases Turning Point Therapeutics, Inc. (US) 2020-04-14 — — US disclosed
US-10618912-B2 Diaryl macrocycles as modulators of protein kinases Turning Point Therapeutics, Inc. (US) 2020-04-14 — — US disclosed
US-20190169207-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES Turning Point Therapeutics, Inc. 2019-06-06 — — US 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-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-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
US-20170002023-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES TP THERAPEUTICS, INC. (US) 2017-01-05 — — US disclosed
EP-3097107-A2 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES TP Therapeutics, Inc. (US) 2016-11-30 — — EP disclosed
WO-2015112806-A2 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES TP THERAPEUTICS, INC. (US) 2015-07-30 — — WO 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 (6 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 TGFBR1 3933/4885NTRK1 935/4885IRAK4 340/4885
US-10618912-B2 Diaryl macrocycles as modulators of protein kinases MAP3K20, LCK, MAP3K1 TGFBR1 4041/4885NTRK1 1072/4885IRAK4 343/4885
US-20170334929-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 TGFBR1 4041/4885NTRK1 1072/4885IRAK4 343/4885
US-20200216465-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 TGFBR1 4041/4885NTRK1 1072/4885IRAK4 343/4885
US-10246466-B2 Diaryl macrocycles as modulators of protein kinases MAP3K20, LCK, MAP3K1 TGFBR1 4041/4885NTRK1 1072/4885IRAK4 343/4885
US-20170002023-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 TGFBR1 4041/4885NTRK1 1072/4885IRAK4 343/4885

“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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