SCHEMBL30133018

SCHEMBL30133018

Fc1cccc(-c2cnc3cn[nH]c3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.48
PDGFRA P16234 3/20 0.48
RAF1 P04049 1/20 0.47
BRAF P15056 1/20 0.47
MAP4K4 O95819 3/20 0.46
CDK8 P49336 2/20 0.46
PRKX P51817 2/20 0.46
AURKB Q96GD4 2/20 0.46
PRKD3 O94806 1/20 0.46
NTRK1 P04629 1/20 0.46
PRKACA P17612 1/20 0.46
LTK P29376 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CLK2 P49760 1/20 0.46
NTRK3 Q16288 1/20 0.46
NTRK2 Q16620 1/20 0.46
TAOK1 Q7L7X3 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
DYRK1A Q13627 1/20 0.46
IDO1 P14902 2/20 0.45

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
SCHEMBL30133041 0.85 DYRK1A (0.50) RAF1BRAFMAP4K4AURKBPRKD3
SCHEMBL29525098 0.83 DYRK1A (0.49) PDGFRBPDGFRAMAP4K4CDK8PRKX
SCHEMBL17754852 0.83 DYRK1A (0.49) PDGFRBPDGFRAMAP4K4CDK8PRKX
SCHEMBL16368499 0.83 FGFR1 (0.56) PDGFRBPDGFRAMAP4K4CDK8AURKB
SCHEMBL29603616 0.83 FGFR1 (0.56) PDGFRBPDGFRAMAP4K4CDK8AURKB
SCHEMBL17754855 0.83 FGFR1 (0.45) MAP4K4DYRK1AIDO1FGFR1FGFR2
SCHEMBL30326991 0.83 FGFR1 (0.48) MAP4K4DYRK1AIDO1FGFR1FGFR2
SCHEMBL30133047 0.83 FGFR1 (0.45) MAP4K4DYRK1AIDO1FGFR1FGFR2
SCHEMBL29525216 0.82 GRIN1 (0.50) RAF1BRAFIDO1METAP2GRIN1
SCHEMBL17759200 0.82 GRIN1 (0.50) RAF1BRAFIDO1METAP2GRIN1

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-20220324860-A1 SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-10-13 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-20220324860-A1 SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN3B, GRIN3A PDGFRB 110/4885PDGFRA 229/4885RAF1 2666/4885

“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.