SCHEMBL18440826

SCHEMBL18440826

Cn1cc(-c2cc3c(-c4cc5cccnc5[nH]4)n[nH]c3cn2)cn1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 5/20 0.70
DYRK1A Q13627 5/20 0.70
CLK3 P49761 4/20 0.70
PIM1 P11309 14/20 0.66
PIM3 Q86V86 3/20 0.66
PIM2 Q9P1W9 3/20 0.66
MAPT P10636 1/20 0.57
WNT1 P04628 1/20 0.55

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
SCHEMBL18443337 0.88 PIM1 (0.72) CLK2DYRK1ACLK3PIM1PIM3
SCHEMBL18441530 0.87 CLK2 (0.64) CLK2DYRK1ACLK3WNT1
SCHEMBL18448419 0.85 CLK2 (0.72) CLK2DYRK1ACLK3PIM1PIM3
SCHEMBL18443174 0.84 PIM1 (0.67) CLK2DYRK1ACLK3PIM1PIM3
SCHEMBL18440519 0.84 CLK2 (0.69) CLK2DYRK1ACLK3PIM1PIM3
SCHEMBL18446737 0.84 PIM1 (0.67) CLK2DYRK1ACLK3PIM1PIM3
SCHEMBL17592016 0.83 PIM1 (0.65) CLK2DYRK1ACLK3PIM1PIM3
SCHEMBL18441290 0.83 CLK2 (0.75) CLK2DYRK1ACLK3PIM1PIM3
SCHEMBL18441003 0.83 PIM1 (0.70) CLK2DYRK1ACLK3PIM1PIM3
SCHEMBL18441127 0.83 CLK2 (0.83) CLK2DYRK1ACLK3PIM1PIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10285982-B2 3-(1H-pyrrolo[2,3-B]pyridin-2-yl)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-05-14 US claimed
WO-2017023980-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 WO claimed
US-10285982-B2 3-(1H-pyrrolo[2,3-B]pyridin-2-yl)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-05-14 US disclosed
US-10285982-B2 3-(1H-pyrrolo[2,3-B]pyridin-2-yl)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-05-14 US disclosed
WO-2017023980-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (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-10285982-B2 3-(1H-pyrrolo[2,3-B]pyridin-2-yl)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof WNT1, WNT3, WNT3A CLK2 2095/4885DYRK1A 806/4885CLK3 2123/4885

“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.