Sugi Predict

Sugi Predict / Compounds / SCHEMBL18447295

SCHEMBL18447295

SCHEMBL18447295

c1ccc(COc2cncc(-c3cc4c(-c5cc6c(-c7cccs7)cncc6[nH]5)n[nH]c4cn3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 13/20 0.59
▸ DYRK1A Q13627 13/20 0.59
▸ CLK3 P49761 11/20 0.59
▸ WNT1 P04628 5/20 0.53
▸ PRKACA P17612 2/20 0.50
▸ PRKACG P22612 2/20 0.50
▸ PRKACB P22694 2/20 0.50
▸ AKT1 P31749 2/20 0.50
▸ TGFBR1 P36897 1/20 0.48

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
SCHEMBL20596748 0.93 WNT1 (0.57) CLK2DYRK1ACLK3WNT1PRKACA
SCHEMBL18448034 0.90 CLK3 (0.73) CLK2DYRK1ACLK3WNT1AKT1
SCHEMBL18479036 0.90 CLK2 (0.66) CLK2DYRK1ACLK3WNT1PRKACA
SCHEMBL20452269 0.89 DYRK1A (0.67) CLK2DYRK1ACLK3WNT1PRKACA
SCHEMBL20965267 0.89 WNT1 (0.67) CLK2DYRK1ACLK3WNT1PRKACA
SCHEMBL18475689 0.88 CLK2 (0.54) CLK2DYRK1ACLK3WNT1PRKACA
SCHEMBL18442398 0.88 CLK2 (0.56) CLK2DYRK1ACLK3WNT1AKT1
SCHEMBL18446295 0.88 CLK2 (0.58) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL18475825 0.88 WNT1 (0.55) CLK2DYRK1ACLK3WNT1PRKACA
SCHEMBL20452342 0.87 DYRK1A (0.59) CLK2DYRK1ACLK3WNT1PRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10383861-B2 3-(1H-pyrrolo[2,3-C]pyridin-2-yl)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof Sammumed, LLC (US) 2019-08-20 — — US claimed
US-20180221351-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF MED-PATHWAYS II LIMITED (VG) 2018-08-09 — — US claimed
WO-2017023975-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO claimed
US-10383861-B2 3-(1H-pyrrolo[2,3-C]pyridin-2-yl)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof Sammumed, LLC (US) 2019-08-20 — — US disclosed
US-20180221351-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF MED-PATHWAYS II LIMITED (VG) 2018-08-09 — — US disclosed
US-20180221351-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF MED-PATHWAYS II LIMITED (VG) 2018-08-09 — — 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 (2 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-10383861-B2 3-(1H-pyrrolo[2,3-C]pyridin-2-yl)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof WNT3, WNT1, WNT3A CLK2 2035/4885DYRK1A 806/4885CLK3 1972/4885
US-20180221351-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF WNT3, WNT1, WNT3A CLK2 2035/4885DYRK1A 806/4885CLK3 1972/4885

“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.