SCHEMBL2195261

SCHEMBL2195261

CN1CCN(CCn2cc3c(n2)CCc2c-3sc3ncnc(Nc4ccc5c(cnn5Cc5ccccn5)c4)c23)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 17/20 0.45
EGFR P00533 12/20 0.45
KCNH2 Q12809 1/20 0.43
ERBB4 Q15303 2/20 0.41
IKBKB O14920 1/20 0.37
TNNI3K Q59H18 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL2193902 0.92 ERBB2 (0.44) ERBB2EGFRERBB4JAK3
SCHEMBL2194630 0.89 ERBB2 (0.54) ERBB2EGFR
SCHEMBL2191370 0.87 ERBB2 (0.44) ERBB2EGFRERBB4JAK3
SCHEMBL2192988 0.85 ERBB2 (0.45) ERBB2EGFRERBB4JAK3
SCHEMBL2195013 0.85 ERBB2 (0.43) ERBB2EGFRERBB4TNNI3KJAK3
SCHEMBL2194036 0.85 ERBB2 (0.43) ERBB2EGFRERBB4JAK3
SCHEMBL2194533 0.84 ERBB2 (0.48) ERBB2EGFR
SCHEMBL2193798 0.82 ERBB2 (0.51) ERBB2EGFR
SCHEMBL2195622 0.82 ERBB2 (0.58) ERBB2EGFRKCNH2
SCHEMBL2196938 0.82 EGFR (0.53) ERBB2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207172-B2 Pyrimidinothienoindazoles useful for the treatment of hyperproliferative disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-26 US disclosed
US-8207172-B2 Pyrimidinothienoindazoles useful for the treatment of hyperproliferative disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-26 US disclosed
US-20110172224-A1 NOVEL HETEROCYCLES BAYER PHARMACEUTICALS CORPORATION (US) 2011-07-14 US disclosed
US-20110172224-A1 NOVEL HETEROCYCLES BAYER PHARMACEUTICALS CORPORATION (US) 2011-07-14 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-20110172224-A1 NOVEL HETEROCYCLES CCNI, PCNA, CCNA1 ERBB2 1762/4885EGFR 2146/4885KCNH2 4503/4885

“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.