SCHEMBL5785992

SCHEMBL5785992

Cc1cc(Nc2ncnc3cnc(N4CC5C(N)C5C4)cc23)ccc1Oc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 16/20 0.50
EGFR P00533 5/20 0.43
ERBB3 P21860 1/20 0.42
ERBB4 Q15303 1/20 0.42
GCK P35557 1/20 0.41

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
SCHEMBL5786849 0.92 ERBB2 (0.52) ERBB2EGFR
SCHEMBL5788261 0.90 ERBB2 (0.54) ERBB2EGFRERBB3ERBB4
SCHEMBL6291184 0.88 ERBB2 (0.51) ERBB2EGFRERBB3ERBB4GCK
SCHEMBL5788156 0.85 ERBB2 (0.50) ERBB2EGFRERBB3ERBB4
SCHEMBL5786193 0.85 ERBB2 (0.55) ERBB2EGFRERBB3ERBB4
SCHEMBL6291187 0.82 ERBB2 (0.46) ERBB2EGFRERBB3ERBB4GCK
SCHEMBL5788794 0.80 ERBB2 (0.53) ERBB2EGFRERBB3ERBB4
SCHEMBL6288116 0.80 EGFR (0.49) ERBB2EGFRERBB4
SCHEMBL5786009 0.80 EGFR (0.50) ERBB2EGFRERBB3ERBB4
SCHEMBL5788331 0.80 ERBB2 (0.52) ERBB2EGFRERBB3ERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1249451-B1 Bicyclic-substituted 4-amino-pyridopyrimidine derivatives PFIZER PROD INC (US) 2006-06-21 EP claimed
US-6927220-B2 Antiproliferative and antitumor agents PFIZER INC (US) 2005-08-09 US claimed
US-20030045535-A1 Bicyclic-substituted 4-amino-pyridopyrimidine derivatives PFIZER INC. 2003-03-06 US claimed
EP-1249451-A2 Bicyclic-substituted 4-amino-pyridopyrimidine derivatives Pfizer Products Inc. (US) 2002-10-16 EP claimed
EP-1249451-B1 Bicyclic-substituted 4-amino-pyridopyrimidine derivatives PFIZER PROD INC (US) 2006-06-21 EP disclosed
US-6927220-B2 Antiproliferative and antitumor agents PFIZER INC (US) 2005-08-09 US disclosed
US-20030045535-A1 Bicyclic-substituted 4-amino-pyridopyrimidine derivatives PFIZER INC. 2003-03-06 US disclosed
EP-1249451-A2 Bicyclic-substituted 4-amino-pyridopyrimidine derivatives Pfizer Products Inc. (US) 2002-10-16 EP disclosed
EP-1242427-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2001046200-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-28 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-20030045535-A1 Bicyclic-substituted 4-amino-pyridopyrimidine derivatives CDK4, TYMP, CDK6 ERBB2 389/4885EGFR 630/4885ERBB3 665/4885

“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.