SCHEMBL1924006

SCHEMBL1924006

CC(C)c1cc(C(=O)c2cccc(NC(=O)Nc3ccc(OCc4ccccc4)cc3)c2)c2c(N)ncnn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK2 Q16620 5/20 1.00
▸ NTRK1 P04629 4/20 1.00
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ PDGFRB P09619 1/20 0.45
▸ GBA1 P04062 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.44
▸ LTA4H P09960 1/20 0.43
▸ PLK4 O00444 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ DAPK3 O43293 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ PAK4 O96013 1/20 0.43
▸ CHEK2 O96017 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ INSR P06213 1/20 0.43
▸ LCK P06239 1/20 0.43

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
SCHEMBL1924019 0.90 NTRK1 (0.86) NTRK2NTRK1NPC1RAB9APDGFRB
SCHEMBL1924757 0.90 NTRK1 (1.00) NTRK2NTRK1MEN1KMT2APDGFRB
SCHEMBL1926377 0.89 NTRK1 (0.85) NTRK2NTRK1MEN1KMT2ANPC1
SCHEMBL12537705 0.88 NTRK2 (0.79) NTRK2NTRK1MEN1KMT2ANPC1
SCHEMBL1925131 0.88 NTRK2 (1.00) NTRK2NTRK1NPC1RAB9APDGFRB
SCHEMBL1924486 0.88 NTRK1 (0.91) NTRK2NTRK1PDGFRBPLK4AURKA
SCHEMBL1926486 0.87 NTRK2 (0.77) NTRK2NTRK1MEN1KMT2ANPC1
SCHEMBL1925208 0.87 NTRK1 (0.89) NTRK2NTRK1NPC1RAB9APDGFRB
SCHEMBL1925320 0.86 NTRK1 (0.79) NTRK2NTRK1MEN1KMT2ANPC1
SCHEMBL1924399 0.86 NTRK1 (0.82) NTRK2NTRK1NPC1RAB9APDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948664-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-08 — — EP claimed
US-7514435-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-07 — — US claimed
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 — — US claimed
EP-1948664-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-08 — — EP disclosed
US-7514435-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-07 — — US disclosed
EP-1948664-A2 PYRROLOTRIAZINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2008-07-30 — — EP disclosed
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 — — US disclosed
WO-2007061882-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — 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 (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 NTRK2 1/4885NTRK1 3/4885MEN1 4312/4885

“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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