SCHEMBL3588854

SCHEMBL3588854

CCOc1ccc(Nc2ncc3cnn(-c4cccc5ccccc45)c3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.47
FGFR1 P11362 1/20 0.47
SRC P12931 1/20 0.47
PDGFRA P16234 1/20 0.47
EIF2AK4 Q9P2K8 2/20 0.46
MAPT P10636 5/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 1/20 0.46
SYK P43405 2/20 0.46
KMT2A Q03164 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PKM P14618 1/20 0.45
POLB P06746 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
RAD52 P43351 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC2A1 P11166 1/20 0.44

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
SCHEMBL3583178 0.84 SRC (0.42) PDGFRBFGFR1SRCPDGFRAEIF2AK4
SCHEMBL3588642 0.83 JAK1 (0.41) FGFR1EIF2AK4MAPTNPC1POLB
SCHEMBL3573049 0.81 CDK1 (0.46) EIF2AK4CDK4CCND1CCND2CCND3
SCHEMBL3581123 0.81 CDK4 (0.44) PDGFRBSRCPDGFRAEIF2AK4HSD17B10
SCHEMBL3581836 0.80 CDK4 (0.49) MAPTKDM4EHSD17B10KMT2AMEN1
SCHEMBL3589735 0.80 GSK3B (0.53) POLBKDR
SCHEMBL3587383 0.79 DCLK1 (0.39) FGFR1SRCEIF2AK4CDK4CCND1
SCHEMBL3571516 0.79 EGFR (0.56) PDGFRBFGFR1SRCPDGFRAKDR
SCHEMBL3588646 0.78 CDK4 (0.39) FGFR1SRCEIF2AK4KMT2ANPC1
SCHEMBL3582215 0.78 CDK4 (0.46) FGFR1EIF2AK4MAPTKDM4EHSD17B10

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 PDGFRB 2901/4885FGFR1 785/4885SRC 295/4885

“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.