SCHEMBL3583145

SCHEMBL3583145

CN1CCN(c2ccc(Nc3ncc4cn[nH]c4n3)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.64
FGFR1 P11362 3/20 0.64
PDGFRB P09619 3/20 0.64
PDGFRA P16234 3/20 0.64
ALK Q9UM73 2/20 0.64
JAK3 P52333 2/20 0.64
FLT1 P17948 2/20 0.64
KDR P35968 2/20 0.64
CDK7 P50613 2/20 0.64
NTRK2 Q16620 2/20 0.64
CDK9 P50750 2/20 0.64
PAK4 O96013 2/20 0.64
FLT3 P36888 2/20 0.64
CHEK1 O14757 1/20 0.64
DAPK3 O43293 1/20 0.64
JAK2 O60674 1/20 0.64
PRKD3 O94806 1/20 0.64
MAP4K4 O95819 1/20 0.64
ABL1 P00519 1/20 0.64
NTRK1 P04629 1/20 0.64

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
SCHEMBL3590138 0.86 PDGFRB (0.62) FGFR1PDGFRBPDGFRAFLT3CDK4
SCHEMBL29813554 0.84 EGFR (0.62) AURKAFGFR1PDGFRBPDGFRAALK
SCHEMBL10346428 0.81 CDK4 (0.61) AURKAFGFR1ALKPAK4FLT3
SCHEMBL27174693 0.80 MAP4K1 (0.73) AURKAFGFR1ALKJAK3KDR
SCHEMBL29819702 0.79 BTK (0.52) AURKAFGFR1PDGFRBPDGFRAALK
SCHEMBL27156485 0.79 BTK (0.52) AURKAFGFR1PDGFRBPDGFRAALK
SCHEMBL24625516 0.79 WEE1 (0.82) AURKAFGFR1PDGFRBPDGFRAALK
SCHEMBL26394690 0.79 PDGFRA (0.85) AURKAFGFR1PDGFRBPDGFRAALK
SCHEMBL24625523 0.79 PDGFRB (0.83) AURKAFGFR1PDGFRBPDGFRAALK
SCHEMBL17296027 0.78 WEE1 (0.58) FGFR1ALKCDK9PAK4FLT3

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 AURKA 10/4885FGFR1 785/4885PDGFRB 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.