SCHEMBL1924735

SCHEMBL1924735

CC(C)c1cc(C(=O)c2cccc(NC(=O)NCCc3ccccc3)c2)c2c(N)ncnn12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 3/20 0.79
▸ NTRK2 Q16620 4/20 0.73
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ EPHX1 P07099 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ AURKA O14965 5/20 0.43
▸ AURKB Q96GD4 5/20 0.43
▸ LMNA P02545 1/20 0.42
▸ PDGFRB P09619 1/20 0.41
▸ BTK Q06187 1/20 0.39
▸ RET P07949 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ RIPK1 Q13546 1/20 0.39

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
SCHEMBL1925354 0.95 NTRK1 (0.77) NTRK1NTRK2CA12CA1CA2
SCHEMBL1924399 0.92 NTRK1 (0.82) NTRK1NTRK2NPC1RAB9AAURKA
SCHEMBL1924757 0.89 NTRK1 (1.00) NTRK1NTRK2KMT2AMEN1AURKA
SCHEMBL1926054 0.87 NTRK1 (0.74) NTRK1NTRK2KMT2AMEN1NPC1
SCHEMBL1926411 0.86 NTRK1 (0.75) NTRK1NTRK2KMT2AMEN1NPC1
SCHEMBL1925808 0.85 NTRK1 (0.74) NTRK1NTRK2KMT2AMEN1NPC1
SCHEMBL1924006 0.85 NTRK2 (1.00) NTRK1NTRK2CA12CA1CA2
SCHEMBL1925131 0.84 NTRK2 (1.00) NTRK1NTRK2NPC1MAPTRAB9A
SCHEMBL1924486 0.84 NTRK1 (0.91) NTRK1NTRK2AURKAAURKBPDGFRB
SCHEMBL1924937 0.84 NTRK1 (0.88) NTRK1NTRK2AURKAAURKBPDGFRB

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 3 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 disclosed
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 1/4885CA12 4828/4885

“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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