SCHEMBL3583178

SCHEMBL3583178

Nc1ccc(Nc2ncc3cnn(-c4cccc5ccccc45)c3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.42
ABL1 P00519 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42
MAPK14 Q16539 1/20 0.42
SYK P43405 1/20 0.41
CDK1 P06493 2/20 0.38
CCNB1 P14635 2/20 0.38
CCNT1 O60563 1/20 0.38
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38
CCNH P51946 1/20 0.38
KDM1A O60341 1/20 0.37
CDK4 P11802 4/20 0.37
CCND1 P24385 4/20 0.37
CCND2 P30279 4/20 0.37
CCND3 P30281 4/20 0.37
GSK3A P49840 2/20 0.37
GSK3B P49841 2/20 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
SCHEMBL3586411 0.91 SRC (0.40) SRCABL1PDGFRBKITPDGFRA
SCHEMBL3589735 0.84 GSK3B (0.53) GSK3AGSK3BEGFR
SCHEMBL3588854 0.84 PDGFRB (0.47) SRCPDGFRBPDGFRASYKCDK4
SCHEMBL3585927 0.82 STAT6 (0.53) SRCPDGFRBPDGFRASYKCDK1
SCHEMBL3590227 0.82 MAPK10 (0.49) PDGFRASYKCDK4CCND1CCND2
SCHEMBL3587383 0.82 DCLK1 (0.39) SRCCDK1CCNB1CCNT1CDK7
SCHEMBL3588808 0.81 CDK4 (0.54) KDM1ACDK4CCND1CCND2CCND3
SCHEMBL3573049 0.81 CDK1 (0.46) CDK1CCNB1CCNT1CDK7CDK9
SCHEMBL3571516 0.81 EGFR (0.56) SRCPDGFRBPDGFRACDK1CCNB1
SCHEMBL3581836 0.81 CDK4 (0.49) KITCDK4CCND1CCND2CCND3

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 1 patent. 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 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 SRC 295/4885ABL1 374/4885PDGFRB 2901/4885

“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.