SCHEMBL2195692

SCHEMBL2195692

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 6/20 0.41
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
EGFR P00533 8/20 0.39
CCR2 P41597 1/20 0.39
FGFR1 P11362 1/20 0.38
TNNI3K Q59H18 2/20 0.38
AURKA O14965 2/20 0.37
ERBB2 P04626 2/20 0.37
PDGFRB P09619 2/20 0.37
TEK Q02763 2/20 0.37
AURKB Q96GD4 2/20 0.37
KDR P35968 2/20 0.37
FLT4 P35916 1/20 0.37
EPHA2 P29317 1/20 0.37
EPHB4 P54760 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
SCHEMBL2194783 0.94 CCR2 (0.44) MKNK1CCNA2CDK2CCNA1EGFR
SCHEMBL2194084 0.91 CCNA2 (0.51) MKNK1CCNA2CDK2CCNA1EGFR
SCHEMBL2195687 0.91 MKNK1 (0.41) MKNK1CCNA2CDK2CCNA1EGFR
SCHEMBL2196635 0.90 EGFR (0.44) MKNK1EGFRAURKAERBB2PDGFRB
SCHEMBL2195327 0.88 EGFR (0.41) MKNK1CCNA2CDK2CCNA1EGFR
SCHEMBL2194225 0.88 MKNK1 (0.55) MKNK1CCNA2CDK2CCNA1EGFR
SCHEMBL2199148 0.87 EGFR (0.40) MKNK1CCNA2CDK2CCNA1EGFR
SCHEMBL2191363 0.86 TNNI3K (0.40) MKNK1EGFRTNNI3KAURKAERBB2
SCHEMBL2194064 0.86 EGFR (0.48) EGFRAURKAERBB2PDGFRBTEK
SCHEMBL2194979 0.86 EGFR (0.46) MKNK1EGFRERBB2KDREPHA2

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 MKNK1 2581/4885CCNA2 5/4885CDK2 34/4885

“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.