SCHEMBL16946794

SCHEMBL16946794

CC(Oc1cnc2[nH]cc(I)c2n1)c1cc(F)ccc1OCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 1/20 0.34
▸ TDO2 P48775 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ JAK2 O60674 6/20 0.33
▸ JAK1 P23458 6/20 0.33
▸ JAK3 P52333 6/20 0.33
▸ P2RX3 P56373 1/20 0.32
▸ ROCK2 O75116 2/20 0.31
▸ AAK1 Q2M2I8 2/20 0.30
▸ KAT6A Q92794 1/20 0.30
▸ KAT5 Q92993 1/20 0.30
▸ TRPA1 O75762 1/20 0.30
▸ TMEM97 Q5BJF2 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL18357995 0.84 RBP4 (0.33) RBP4PDK2P2RX3KAT6AKAT5
SCHEMBL18352377 0.81 TRPA1 (0.35) JAK2JAK1JAK3TRPA1
SCHEMBL16946791 0.81 TRPA1 (0.35) JAK2JAK1JAK3TRPA1
SCHEMBL16946750 0.80 NTRK1 (0.37) RBP4PDK2JAK2P2RX3
SCHEMBL21941476 0.77 TDO2 (0.38) TDO2JAK2JAK1JAK3ROCK2
SCHEMBL16947088 0.75 RBP4 (0.39) RBP4JAK2
SCHEMBL16946700 0.75 PDK2 (0.43) RBP4PDK2AAK1KAT6AKAT5
SCHEMBL18353076 0.75 AAK1 (0.37) RBP4PDK2P2RX3AAK1KAT6A
SCHEMBL16947094 0.75 AAK1 (0.37) RBP4PDK2P2RX3AAK1KAT6A
SCHEMBL21601459 0.70 PDK2 (0.47) RBP4PDK2AAK1

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 9 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-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-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 (4 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 RBP4 4713/4885TDO2 4074/4885PDK2 608/4885
US-10618912-B2 Diaryl macrocycles as modulators of protein kinases MAP3K20, LCK, MAP3K1 RBP4 4739/4885TDO2 4088/4885PDK2 562/4885
US-20170334929-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 RBP4 4739/4885TDO2 4088/4885PDK2 562/4885
US-20200216465-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 RBP4 4739/4885TDO2 4088/4885PDK2 562/4885

“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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