SCHEMBL21081097

SCHEMBL21081097

CCOC(=O)c1cnn2ccc(N[C@H](C)c3cc(F)cc(Br)c3O)nc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 18/20 0.47
▸ NTRK3 Q16288 9/20 0.47
▸ NTRK2 Q16620 8/20 0.47
▸ TGFBR1 P36897 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL19826988 0.90 NTRK1 (0.47) NTRK1NTRK3NTRK2TGFBR1KDM4E
SCHEMBL19816830 0.88 NTRK1 (0.51) NTRK1NTRK3NTRK2
SCHEMBL16946698 0.88 NTRK1 (0.52) NTRK1NTRK3NTRK2
SCHEMBL27060264 0.88 NTRK1 (0.50) NTRK1NTRK3NTRK2TGFBR1
SCHEMBL29511282 0.88 NTRK1 (0.52) NTRK1NTRK3NTRK2
SCHEMBL29511254 0.88 NTRK1 (0.52) NTRK1NTRK3NTRK2
SCHEMBL16946773 0.88 NTRK1 (0.52) NTRK1NTRK3NTRK2
SCHEMBL18361539 0.87 NTRK1 (0.47) NTRK1NTRK3NTRK2TGFBR1
SCHEMBL18361533 0.83 NTRK1 (0.46) NTRK1NTRK3NTRK2TGFBR1
SCHEMBL19826941 0.82 NTRK1 (0.39) NTRK1NTRK3NTRK2TGFBR1

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-10689400-B2 Macrocycle kinase inhibitors Turning Point Therapeutics, Inc. (US) 2020-06-23 — — US disclosed
US-20190169208-A1 MACROCYCLE KINASE INHIBITORS TP 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-20190169208-A1 MACROCYCLE KINASE INHIBITORS DCK, MAP3K20, PLK1 NTRK1 964/4885NTRK3 790/4885NTRK2 1605/4885
US-10689400-B2 Macrocycle kinase inhibitors DCK, MAP3K20, PLK1 NTRK1 964/4885NTRK3 790/4885NTRK2 1605/4885

“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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