Sugi Predict

Sugi Predict / Compounds / SCHEMBL20452269

SCHEMBL20452269

SCHEMBL20452269

c1ccc(COc2cncc(-c3cc4c(-c5cc6c(-c7ccncc7)cncc6[nH]5)n[nH]c4cn3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 16/20 0.67
▸ CLK2 P49760 15/20 0.67
▸ CLK3 P49761 14/20 0.66
▸ WNT1 P04628 1/20 0.56
▸ AKT1 P31749 3/20 0.54
▸ PRKACA P17612 2/20 0.54
▸ PRKACG P22612 2/20 0.54
▸ PRKACB P22694 2/20 0.54

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
SCHEMBL20452619 0.93 CLK2 (0.60) DYRK1ACLK2CLK3WNT1AKT1
SCHEMBL20464074 0.92 DYRK1A (0.73) DYRK1ACLK2CLK3WNT1AKT1
SCHEMBL20596736 0.92 WNT1 (0.61) DYRK1ACLK2CLK3WNT1AKT1
SCHEMBL20452342 0.91 DYRK1A (0.59) DYRK1ACLK2CLK3WNT1AKT1
SCHEMBL20452521 0.91 CLK2 (0.58) DYRK1ACLK2CLK3WNT1AKT1
SCHEMBL18447295 0.89 CLK2 (0.59) DYRK1ACLK2CLK3WNT1AKT1
SCHEMBL20452681 0.89 CLK2 (0.56) DYRK1ACLK2CLK3WNT1AKT1
SCHEMBL20452477 0.89 WNT1 (0.71) DYRK1ACLK2CLK3WNT1AKT1
SCHEMBL20452770 0.89 CLK2 (0.72) DYRK1ACLK2CLK3WNT1AKT1
SCHEMBL18447230 0.89 DYRK1A (0.64) DYRK1ACLK2CLK3

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
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
US-20160068563-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 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-10383861-B2 3-(1H-pyrrolo[2,3-C]pyridin-2-yl)-1H-pyrazolo[3,4-C]pyridines and therapeutic uses thereof WNT3, WNT1, WNT3A DYRK1A 806/4885CLK2 2035/4885CLK3 1972/4885
US-20160068563-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF NR3C2, HSD3B1, HSD3B2 DYRK1A 4761/4885CLK2 4619/4885CLK3 4757/4885
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 DYRK1A 806/4885CLK2 2035/4885CLK3 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.