SCHEMBL3973216

SCHEMBL3973216

CC(C)C[C@H](NC(=O)Nc1cccc(C(=O)c2cc(C(C)C)n3ncnc(N)c23)c1)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 3/20 0.76
▸ NTRK2 Q16620 4/20 0.71
▸ MAPK1 P28482 1/20 0.48
▸ TP53 P04637 1/20 0.46
▸ PDGFRB P09619 1/20 0.41
▸ FOLH1 Q04609 1/20 0.41
▸ F3 P13726 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ FPR2 P25090 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 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
SCHEMBL1923892 0.94 NTRK1 (0.74) NTRK1NTRK2MAPK1TP53PDGFRB
SCHEMBL1923890 0.93 NTRK1 (0.73) NTRK1NTRK2MAPK1TP53PDGFRB
SCHEMBL3980180 0.87 NTRK1 (0.80) NTRK1NTRK2MAPK1PDGFRBFPR2
SCHEMBL1924757 0.87 NTRK1 (1.00) NTRK1NTRK2MAPK1PDGFRB
SCHEMBL1924946 0.86 NTRK1 (0.75) NTRK1NTRK2MAPK1PDGFRBFPR2
SCHEMBL1925521 0.85 NTRK1 (0.83) NTRK1NTRK2MAPK1PDGFRBALDH1A1
SCHEMBL1923992 0.85 NTRK1 (0.83) NTRK1NTRK2MAPK1PDGFRBALDH1A1
SCHEMBL1925441 0.85 NTRK1 (0.83) NTRK1NTRK2MAPK1PDGFRBALDH1A1
SCHEMBL1924486 0.84 NTRK1 (0.91) NTRK1NTRK2MAPK1PDGFRB
SCHEMBL1924937 0.84 NTRK1 (0.88) NTRK1NTRK2PDGFRB

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-7514435-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-07 — — US disclosed
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 — — 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 (1 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-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 NTRK1 3/4885NTRK2 1/4885MAPK1 367/4885

“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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