SCHEMBL18441990

SCHEMBL18441990

Fc1cccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCc7ccccc7)c6)nc45)cc23)c1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 1/20 0.61
CLK2 P49760 19/20 0.57
DYRK1A Q13627 18/20 0.57
CLK3 P49761 17/20 0.57

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
SCHEMBL18445108 0.94 WNT1 (0.65) WNT1CLK2DYRK1ACLK3
SCHEMBL18442631 0.92 DYRK1A (0.56) WNT1CLK2DYRK1ACLK3
SCHEMBL18441986 0.91 CLK2 (0.54) WNT1CLK2DYRK1ACLK3
SCHEMBL20591489 0.90 CLK2 (0.55) WNT1CLK2DYRK1ACLK3
SCHEMBL20421556 0.89 CLK2 (0.71) WNT1CLK2DYRK1ACLK3
SCHEMBL18442011 0.89 CLK2 (0.69) WNT1CLK2DYRK1ACLK3
SCHEMBL18442291 0.89 CLK2 (0.62) WNT1CLK2DYRK1ACLK3
SCHEMBL20731798 0.89 WNT1 (0.61) WNT1CLK2DYRK1ACLK3
SCHEMBL20452477 0.88 WNT1 (0.71) WNT1CLK2DYRK1ACLK3
SCHEMBL18487825 0.88 CLK2 (0.64) CLK2DYRK1ACLK3

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-20180370989-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF MED-PATHWAYS II LIMITED (VG) 2018-12-27 US claimed
US-20180370989-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF MED-PATHWAYS II LIMITED (VG) 2018-12-27 US disclosed
WO-2017024025-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF KC SUNIL KUMAR (US) 2017-02-09 WO 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-20180370989-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A WNT1 1/4885CLK2 2162/4885DYRK1A 823/4885

“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.