SCHEMBL17564271

SCHEMBL17564271

Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(N6CCCCC6)ccnc5[nH]4)c3c2F)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.52
ROCK1 Q13464 5/20 0.52
CDC42BPB Q9Y5S2 5/20 0.52
CLK2 P49760 10/20 0.49
CLK3 P49761 9/20 0.49
DYRK1A Q13627 9/20 0.49
WNT1 P04628 5/20 0.42
TGFBR1 P36897 3/20 0.42
CDC42BPA Q5VT25 1/20 0.39

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
SCHEMBL17564330 0.92 CLK2 (0.52) ROCK2ROCK1CDC42BPBCLK2CLK3
SCHEMBL17639444 0.90 CLK2 (0.55) ROCK2ROCK1CDC42BPBCLK2CLK3
SCHEMBL17564294 0.90 ROCK1 (0.48) ROCK2ROCK1CDC42BPBCLK2CLK3
SCHEMBL17564272 0.88 ROCK2 (0.49) ROCK2ROCK1CDC42BPBCLK2CLK3
SCHEMBL17564275 0.88 WNT1 (0.52) ROCK2ROCK1CDC42BPBCLK2CLK3
SCHEMBL17564284 0.87 WNT1 (0.48) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17564286 0.87 WNT1 (0.48) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17564280 0.87 WNT1 (0.51) ROCK2ROCK1CDC42BPBCLK2CLK3
SCHEMBL17569374 0.87 DYRK1A (0.55) ROCK2ROCK1CDC42BPBCLK2CLK3
SCHEMBL17564281 0.86 WNT1 (0.54) ROCK2ROCK1CDC42BPBCLK2CLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119303-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINE AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2019-04-25 US disclosed
US-20180141963-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINE AND THERAPEUTIC USES THEREOF MED-PATHWAYS II LIMITED (VG) 2018-05-24 US disclosed
US-20180141963-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINE AND THERAPEUTIC USES THEREOF MED-PATHWAYS II LIMITED (VG) 2018-05-24 US disclosed
US-9758531-B2 3-(3H-imidazo[4,5-B]pyridin-2-yl)-1H-pyrazolo[3,4-B]pyridine and therapeutic uses thereof SAMUMED, LLC (US) 2017-09-12 US disclosed
US-9758531-B2 3-(3H-imidazo[4,5-B]pyridin-2-yl)-1H-pyrazolo[3,4-B]pyridine and therapeutic uses thereof SAMUMED, LLC (US) 2017-09-12 US disclosed
US-20160068550-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINE AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI (PLAN) PTE. LTD. (SG) 2016-03-10 US disclosed
US-20160068550-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINE AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI (PLAN) PTE. LTD. (SG) 2016-03-10 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 (3 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-20190119303-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINE AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A ROCK2 1650/4885ROCK1 969/4885CDC42BPB 199/4885
US-20160068550-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINE AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A ROCK2 1650/4885ROCK1 969/4885CDC42BPB 199/4885
US-20180141963-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINE AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A ROCK2 1650/4885ROCK1 969/4885CDC42BPB 199/4885

“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.