SCHEMBL2447488

SCHEMBL2447488

Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC[C@@H]6CNCCO6)c45)ccc32)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 1.00
▸ ERBB2 P04626 20/20 1.00
▸ MET P08581 1/20 1.00

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
SCHEMBL2446492 0.88 EGFR (1.00) EGFRERBB2MET
SCHEMBL2444926 0.87 EGFR (1.00) EGFRERBB2MET
SCHEMBL2447233 0.85 EGFR (0.92) EGFRERBB2MET
SCHEMBL2446768 0.85 EGFR (0.92) EGFRERBB2MET
SCHEMBL2446281 0.84 EGFR (0.81) EGFRERBB2MET
SCHEMBL4552654 0.83 EGFR (1.00) EGFRERBB2MET
SCHEMBL4552653 0.83 EGFR (1.00) EGFRERBB2MET
SCHEMBL2446787 0.83 EGFR (1.00) EGFRERBB2
SCHEMBL2441670 0.83 EGFR (1.00) EGFRERBB2MET
SCHEMBL2446766 0.83 EGFR (0.70) EGFRERBB2MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446401-B1 C5-modified indazolylpyrrolotriazines BRISTOL MYERS SQUIBB CO (US) 2011-09-14 — — EP claimed
US-6908916-B2 C-5 modified indazolylpyrrolotriazines BRISTOL MYERS SQUIBB COMPANY (US) 2005-06-21 — — US claimed
US-20030186983-A1 C-5 Modified indazolylpyrrolotriazines BRISTOL-MYERS SQUIBB COMPANY 2003-10-02 — — US claimed
EP-1446401-B1 C5-modified indazolylpyrrolotriazines BRISTOL MYERS SQUIBB CO (US) 2011-09-14 — — EP disclosed
EP-1446401-A4 C-5 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL MYERS SQUIBB CO (US) 2006-04-12 — — EP disclosed
US-20050209235-A1 C-5 Modified indazolylpyrrolotriazines MASTALERZ HAROLD 2005-09-22 — — US disclosed
US-6908916-B2 C-5 modified indazolylpyrrolotriazines BRISTOL MYERS SQUIBB COMPANY (US) 2005-06-21 — — US disclosed
CN-1615306-A C-5 modified indazolylpyrrolotriazines BRISTOL MYERS SQUIBB CO (US) 2005-05-11 — — CN disclosed
EP-1446401-A2 C-5 MODIFIED INDAZOLYLPYRROLOTRIAZINES Bristol-Myers Squibb Company (US) 2004-08-18 — — EP disclosed
US-20030186983-A1 C-5 Modified indazolylpyrrolotriazines BRISTOL-MYERS SQUIBB COMPANY 2003-10-02 — — US disclosed
WO-2003042172-A2 C-5 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-22 — — 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 (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-20030186983-A1 C-5 Modified indazolylpyrrolotriazines ERBB2, ERBB4, EGFR EGFR 3/4885ERBB2 1/4885MET 50/4885
US-20050209235-A1 C-5 Modified indazolylpyrrolotriazines ERBB2, ERBB4, EGFR EGFR 3/4885ERBB2 1/4885MET 56/4885

“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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