SCHEMBL3581836

SCHEMBL3581836

COc1ccc(Nc2ncc3cnn(-c4cccc5ccccc45)c3n2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.49
CCND1 P24385 1/20 0.49
CCND2 P30279 1/20 0.49
CCND3 P30281 1/20 0.49
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PTK2 Q05397 5/20 0.46
FLT3 P36888 4/20 0.45
IGF1R P08069 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
HTT P42858 1/20 0.44
PLK1 P53350 1/20 0.44
CSNK2A1 P68400 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL3582001 0.91 PTK2 (0.43) CDK4CCND1CCND2CCND3PTK2
SCHEMBL3582215 0.91 CDK4 (0.46) CDK4CCND1CCND2CCND3MAPT
SCHEMBL3577978 0.84 CDK4 (0.45) CDK4CCND1CCND2CCND3MAPT
SCHEMBL1356097 0.81 MAPT (0.52) CDK4CCND1CCND2CCND3MAPT
SCHEMBL3583178 0.81 SRC (0.42) CDK4CCND1CCND2CCND3MAPT
SCHEMBL3588854 0.80 PDGFRB (0.47) CDK4CCND1CCND2CCND3MAPT
SCHEMBL1355771 0.79 EIF2AK4 (0.64) CDK4CCND1CCND2CCND3MAPT
SCHEMBL1353796 0.78 EIF2AK4 (0.53) CDK4CCND1CCND2CCND3MAPT
SCHEMBL3581123 0.78 CDK4 (0.44) CDK4CCND1CCND2CCND3ALDH1A1
SCHEMBL3589735 0.77 GSK3B (0.53) KDRAURKAJAK2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US claimed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 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-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B CDK4 102/4885CCND1 210/4885CCND2 329/4885

“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.