SCHEMBL2194064

SCHEMBL2194064

CN1CCN(CCn2cc3c(n2)CCc2c-3sc3ncnc(Nc4ccc(OCc5ccccc5)c(Cl)c4)c23)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.48
ERBB2 P04626 15/20 0.46
AURKA O14965 3/20 0.43
PDGFRB P09619 2/20 0.41
TEK Q02763 2/20 0.41
AURKB Q96GD4 2/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 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
SCHEMBL2194979 0.95 EGFR (0.46) EGFRERBB2KDR
SCHEMBL2198361 0.94 EGFR (0.49) EGFRERBB2
SCHEMBL2194993 0.94 EGFR (0.49) EGFRERBB2
SCHEMBL2194943 0.93 EGFR (0.50) EGFRERBB2
SCHEMBL2194885 0.93 EGFR (0.52) EGFRERBB2AURKA
SCHEMBL2194859 0.93 EGFR (0.59) EGFRERBB2
SCHEMBL2193775 0.93 EGFR (0.46) EGFRERBB2AURKAPDGFRBTEK
SCHEMBL2196578 0.92 EGFR (0.48) EGFRERBB2
SCHEMBL2195622 0.91 ERBB2 (0.58) EGFRERBB2
SCHEMBL2194192 0.91 EGFR (0.48) EGFRERBB2

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-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-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
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 EGFR 2146/4885ERBB2 1762/4885AURKA 3194/4885

“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.