SCHEMBL1925563

SCHEMBL1925563

CC(C)c1cc(C(=O)c2cccc(NC(=O)Nc3ccccc3OCCN3CCNCC3)c2)c2c(N)ncnn12

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 3/20 0.67
▸ NTRK2 Q16620 4/20 0.62
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTR2A P28223 4/20 0.39
▸ HTR2C P28335 3/20 0.39
▸ EPHX2 P34913 3/20 0.39
▸ ERN1 O75460 2/20 0.39
▸ PDGFRB P09619 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ ERBB3 P21860 1/20 0.38
▸ TEK Q02763 1/20 0.38
▸ ERBB4 Q15303 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL1924760 0.92 NTRK1 (0.67) NTRK1NTRK2HTR2AHTR2CEPHX2
SCHEMBL13869085 0.87 NTRK1 (0.75) NTRK1NTRK2ALDH1A1MAPTPDGFRB
SCHEMBL1925031 0.85 NTRK1 (0.81) NTRK1NTRK2ALDH1A1MAPTPDGFRB
SCHEMBL1924757 0.81 NTRK1 (1.00) NTRK1NTRK2PDGFRBEGFRERBB2
SCHEMBL13869083 0.81 NTRK1 (0.85) NTRK1NTRK2PDGFRBEGFRERBB2
SCHEMBL1924099 0.81 NTRK1 (0.85) NTRK1NTRK2PDGFRBEGFRERBB2
SCHEMBL1926837 0.80 NTRK1 (0.83) NTRK1NTRK2PDGFRBEGFRERBB2
SCHEMBL3970717 0.80 NTRK2 (0.85) NTRK1NTRK2PDGFRBEGFRERBB2
SCHEMBL1925015 0.80 NTRK1 (0.82) NTRK1NTRK2PDGFRBEGFRERBB2
SCHEMBL1924838 0.80 NTRK1 (0.82) NTRK1NTRK2MAPTERN1PDGFRB

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 9 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
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-7514435-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-07 — — US 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
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 — — US 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 NTRK1 3/4885NTRK2 1/4885ALDH1A1 2051/4885

“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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