SCHEMBL2199148

SCHEMBL2199148

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.40
ERBB2 P04626 6/20 0.40
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
KDR P35968 3/20 0.38
AURKA O14965 2/20 0.38
PDGFRB P09619 2/20 0.38
TEK Q02763 2/20 0.38
AURKB Q96GD4 2/20 0.38
FLT4 P35916 1/20 0.38
MKNK1 Q9BUB5 2/20 0.38
EPHA2 P29317 2/20 0.37
EPHB4 P54760 2/20 0.37
FGFR1 P11362 1/20 0.37
PLK1 P53350 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
PLK2 Q9NYY3 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37

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
SCHEMBL2196635 0.92 EGFR (0.44) EGFRERBB2KDRAURKAPDGFRB
SCHEMBL2194783 0.90 CCR2 (0.44) EGFRERBB2CCNA2CDK2CCNA1
SCHEMBL2194084 0.89 CCNA2 (0.51) EGFRERBB2CCNA2CDK2CCNA1
SCHEMBL2194943 0.88 EGFR (0.50) EGFRERBB2
SCHEMBL2194064 0.88 EGFR (0.48) EGFRERBB2KDRAURKAPDGFRB
SCHEMBL2194979 0.88 EGFR (0.46) EGFRERBB2KDRMKNK1EPHA2
SCHEMBL2194192 0.87 EGFR (0.48) EGFRERBB2
SCHEMBL2193775 0.87 EGFR (0.46) EGFRERBB2KDRAURKAPDGFRB
SCHEMBL2195692 0.87 MKNK1 (0.41) EGFRERBB2CCNA2CDK2CCNA1
SCHEMBL2195687 0.87 MKNK1 (0.41) EGFRERBB2CCNA2CDK2CCNA1

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 1762/4885CCNA2 5/4885

“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.