SCHEMBL18448558

SCHEMBL18448558

Cn1cc(-c2cnc3[nH]nc(-c4cc5c(-c6cccnc6)ccnc5[nH]4)c3c2)cn1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 16/20 0.61
DYRK1A Q13627 16/20 0.61
CLK3 P49761 14/20 0.61
WNT1 P04628 2/20 0.51
AURKA O14965 2/20 0.51
AURKB Q96GD4 2/20 0.51
INCENP Q9NQS7 2/20 0.51
TPX2 Q9ULW0 2/20 0.51

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
SCHEMBL18448961 0.91 CLK2 (0.56) CLK2DYRK1ACLK3WNT1AURKA
SCHEMBL18452828 0.90 DYRK1A (0.66) CLK2DYRK1ACLK3WNT1
SCHEMBL18448574 0.89 WNT1 (0.56) CLK2DYRK1ACLK3WNT1AURKA
SCHEMBL18441084 0.89 DYRK1A (0.78) CLK2DYRK1ACLK3WNT1
SCHEMBL18448425 0.88 DYRK1A (0.76) CLK2DYRK1ACLK3WNT1
SCHEMBL18437182 0.88 DYRK1A (0.61) CLK2DYRK1ACLK3WNT1
SCHEMBL18452661 0.87 DYRK1A (0.79) CLK2DYRK1ACLK3
SCHEMBL18447831 0.87 AURKA (0.47) CLK2DYRK1ACLK3WNT1AURKA
SCHEMBL18447521 0.87 WNT1 (0.54) CLK2DYRK1ACLK3WNT1AURKA
SCHEMBL18448325 0.86 CLK2 (0.49) CLK2DYRK1ACLK3WNT1AURKA

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-10285983-B2 3-(1H-pyrrolo[2,3-B]pyridin-2-yl)-1H-pyrazolo[3,4-B] pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-05-14 US claimed
WO-2017023996-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 WO claimed
US-10285983-B2 3-(1H-pyrrolo[2,3-B]pyridin-2-yl)-1H-pyrazolo[3,4-B] pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-05-14 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-10285983-B2 3-(1H-pyrrolo[2,3-B]pyridin-2-yl)-1H-pyrazolo[3,4-B] pyridines and therapeutic uses thereof WNT1, WNT3A, WNT3 CLK2 2043/4885DYRK1A 849/4885CLK3 2290/4885

“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.