SCHEMBL2442880

SCHEMBL2442880

NCC1CCN(Cc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 1.00
ERBB2 P04626 19/20 1.00
PRKD3 O94806 1/20 0.86
PRKCG P05129 1/20 0.86
PRKCB P05771 1/20 0.86
LCK P06239 1/20 0.86
CDK1 P06493 1/20 0.86
MET P08581 1/20 0.86
PRKCA P17252 1/20 0.86
PRKCH P24723 1/20 0.86
KDR P35968 1/20 0.86
PRKCI P41743 1/20 0.86
PRKCE Q02156 1/20 0.86
PRKCQ Q04759 1/20 0.86
PRKCZ Q05513 1/20 0.86
PRKCD Q05655 1/20 0.86
PRKD1 Q15139 1/20 0.86

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
SCHEMBL2441617 0.93 EGFR (0.86) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2443464 0.93 EGFR (1.00) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2443045 0.91 EGFR (1.00) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2481942 0.91 EGFR (1.00) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2446019 0.91 EGFR (1.00) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2479490 0.90 EGFR (1.00) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2444644 0.90 EGFR (1.00) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2443872 0.89 EGFR (1.00) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2444025 0.89 EGFR (0.83) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2445369 0.89 EGFR (1.00) EGFRERBB2PRKD3PRKCGPRKCB

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 5 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
US-6908916-B2 C-5 modified indazolylpyrrolotriazines BRISTOL MYERS SQUIBB COMPANY (US) 2005-06-21 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-20030186983-A1 C-5 Modified indazolylpyrrolotriazines ERBB2, ERBB4, EGFR EGFR 3/4885ERBB2 1/4885PRKD3 729/4885

“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.