SCHEMBL3484536

SCHEMBL3484536

Clc1ncnc2ccn(CC3CC3)c12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.38
FGFR4 P22455 1/20 0.38
MDM2 Q00987 5/20 0.37
KDM1A O60341 2/20 0.37
GRIN2B Q13224 2/20 0.36
GRM2 Q14416 6/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRIN1 Q05586 1/20 0.33
KCNH2 Q12809 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL2747761 0.77 FGFR1 (0.41) FGFR1FGFR4PDE4APDE4BPDE4C
SCHEMBL3829641 0.77 FGFR1 (0.44) FGFR1FGFR4PDE4APDE4BPDE4C
SCHEMBL3403862 0.76 FGFR1 (0.40) FGFR1FGFR4PDE4APDE4BPDE4C
SCHEMBL1941046 0.75 ACACB (0.41) FGFR1FGFR4KCNH2
SCHEMBL23756064 0.75 GRM2 (0.38) MDM2KDM1AGRM2PIK3C3
SCHEMBL2748523 0.74 FGFR1 (0.42) FGFR1FGFR4CYP1A2CYP2D6PDE4A
SCHEMBL2748776 0.74 FGFR1 (0.40) FGFR1FGFR4PDE4APDE4BPDE4C
SCHEMBL27684259 0.74 FGFR1 (0.42) FGFR1FGFR4PDE4APDE4BPDE4C
SCHEMBL2749135 0.74 FGFR1 (0.40) FGFR1FGFR4GRM2PDE4APDE4B
SCHEMBL3015481 0.73 FGFR1 (0.46) FGFR1FGFR4CYP1A2CYP2D6PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004238-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
CN-101611041-A Condensed heterocyclic compouds TAKEDA PHARMACEUTICAL (JP) 2009-12-23 CN disclosed
EP-2103620-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-23 EP 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-20100004238-A1 FUSED HETEROCYCLIC COMPOUND ERBB2, ROS1, FLT3 FGFR1 10/4885FGFR4 27/4885MDM2 713/4885

“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.