SCHEMBL21045868

SCHEMBL21045868

NCCOc1ccc(F)c(Cl)c1CCNc1ccn2ncc(C(=O)O)c2n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 6/20 0.41
▸ PIM1 P11309 9/20 0.40
▸ PIM2 Q9P1W9 5/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ NTRK1 P04629 3/20 0.37
▸ TGFBR1 P36897 1/20 0.35
▸ RET P07949 1/20 0.35

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
SCHEMBL16935968 0.80 TGFBR1 (0.40) IRAK4NTRK1TGFBR1
SCHEMBL19816178 0.77 PIM1 (0.43) IRAK4PIM1PIM2PIM3NTRK1
SCHEMBL16946714 0.74 IRAK4 (0.42) IRAK4NTRK1TGFBR1
SCHEMBL16935995 0.72 SCN9A (0.41) IRAK4NTRK1TGFBR1
SCHEMBL19816197 0.70 NTRK1 (0.42) IRAK4PIM1PIM2PIM3NTRK1
SCHEMBL16936085 0.67 NTRK1 (0.45) IRAK4NTRK1TGFBR1
SCHEMBL21996890 0.66 IRAK4 (0.46) IRAK4PIM1PIM2PIM3NTRK1
SCHEMBL18208666 0.66 JAK2 (0.50) IRAK4TGFBR1RET
SCHEMBL23037390 0.66 NTRK1 (0.59) NTRK1
SCHEMBL23037392 0.66 NTRK1 (0.59) NTRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20190169207-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, DAPK2 IRAK4 340/4885PIM1 1181/4885PIM2 1048/4885
US-10618912-B2 Diaryl macrocycles as modulators of protein kinases MAP3K20, LCK, MAP3K1 IRAK4 343/4885PIM1 1081/4885PIM2 1010/4885

“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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