SCHEMBL16946791

SCHEMBL16946791

CNCCOc1ccc(F)cc1C(C)Oc1cnc2[nH]cc(I)c2n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ JAK2 O60674 7/20 0.33
▸ ALK Q9UM73 2/20 0.33
▸ JAK1 P23458 3/20 0.32
▸ JAK3 P52333 3/20 0.32
▸ KIT P10721 2/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HTR1A P08908 1/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ HTR1B P28222 1/20 0.31
▸ MAP3K11 Q16584 2/20 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
SCHEMBL18352377 1.00 TRPA1 (0.35) TRPA1MAPK1JAK2ALKJAK1
SCHEMBL16946794 0.81 RBP4 (0.34) TRPA1JAK2JAK1JAK3
SCHEMBL16946747 0.76 NTRK1 (0.39) JAK2ALK
SCHEMBL22201908 0.76 NTRK1 (0.39) JAK2ALK
SCHEMBL21941476 0.76 TDO2 (0.38) JAK2ALKJAK1JAK3KDM4E
SCHEMBL21941539 0.73 — —
SCHEMBL21076797 0.69 NTRK1 (0.41) JAK2JAK1KDM4ELMNATDP1
SCHEMBL16947090 0.69 NTRK1 (0.41) JAK2JAK1KDM4ELMNATDP1
SCHEMBL16947089 0.68 KDM4E (0.39) ALKKDM4ELMNATDP1
SCHEMBL18352908 0.68 KDM4E (0.39) ALKKDM4ELMNATDP1

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-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-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 TRPA1 409/4885MAPK1 87/4885JAK2 85/4885
US-10618912-B2 Diaryl macrocycles as modulators of protein kinases MAP3K20, LCK, MAP3K1 TRPA1 408/4885MAPK1 82/4885JAK2 60/4885
US-20170334929-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 TRPA1 408/4885MAPK1 82/4885JAK2 60/4885
US-20200216465-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 TRPA1 408/4885MAPK1 82/4885JAK2 60/4885

“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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