SCHEMBL1406808

SCHEMBL1406808

COc1cc(Nc2ncnc3[nH]nc(OCCO)c23)ccc1OCc1cccc(F)c1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 17/20 0.75
EGFR P00533 17/20 0.75
GAK O14976 1/20 0.53
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
ERBB4 Q15303 2/20 0.46
ERBB3 P21860 1/20 0.46

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
SCHEMBL1406226 0.91 ERBB2 (0.74) ERBB2EGFRGAKERBB4ERBB3
SCHEMBL1406731 0.89 ERBB2 (0.74) ERBB2EGFRGAKERBB4ERBB3
SCHEMBL1406476 0.88 EGFR (0.68) ERBB2EGFRGAKHDAC3HDAC4
SCHEMBL1406595 0.87 ERBB2 (0.85) ERBB2EGFRGAK
SCHEMBL1406584 0.87 ERBB2 (0.85) ERBB2EGFRGAK
SCHEMBL1414614 0.87 EGFR (0.66) ERBB2EGFRGAKERBB4ERBB3
SCHEMBL1406385 0.86 ERBB2 (1.00) ERBB2EGFR
SCHEMBL1406701 0.85 ERBB2 (0.77) ERBB2EGFR
SCHEMBL1406307 0.84 ERBB2 (0.81) ERBB2EGFR
SCHEMBL1406567 0.81 ERBB2 (0.75) ERBB2EGFRGAKERBB4ERBB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947676-B2 2-{[4-({3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy-}ethanol; erbB2 receptor tyrosine kinase inhibitor; anticarcinogenic, antitumor agnet; solid tumor and nonsolid such as leukaemia, multiple myeloma and lymphoma ASTRAZENECA AB (SE) 2011-05-24 US claimed
EP-1838712-B1 PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2011-03-09 EP claimed
US-20080108613-A1 Pyrazolopyrimidine Compounds as Antitumor Agents ASTRAZENECA AB (SE) 2008-05-08 US claimed
US-7947676-B2 2-{[4-({3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy-}ethanol; erbB2 receptor tyrosine kinase inhibitor; anticarcinogenic, antitumor agnet; solid tumor and nonsolid such as leukaemia, multiple myeloma and lymphoma ASTRAZENECA AB (SE) 2011-05-24 US disclosed
EP-1838712-B1 PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2011-03-09 EP disclosed
US-20080108613-A1 Pyrazolopyrimidine Compounds as Antitumor Agents ASTRAZENECA AB (SE) 2008-05-08 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-20080108613-A1 Pyrazolopyrimidine Compounds as Antitumor Agents ERBB2, ERBB3, ERBB4 ERBB2 1/4885EGFR 10/4885GAK 311/4885

“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.