SCHEMBL18485800

SCHEMBL18485800

Cc1ccncc1-c1cnc2[nH]nc(-c3cc4c(-c5cccs5)cncc4[nH]3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 15/20 0.54
▸ CLK2 P49760 14/20 0.54
▸ CLK3 P49761 13/20 0.54
▸ WNT1 P04628 5/20 0.44

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
SCHEMBL18453081 0.92 DYRK1A (0.47) DYRK1ACLK2CLK3WNT1
SCHEMBL18453050 0.90 DYRK1A (0.60) DYRK1ACLK2CLK3WNT1
SCHEMBL18437195 0.89 CLK2 (0.48) DYRK1ACLK2CLK3WNT1
SCHEMBL20965848 0.88 WNT1 (0.55) DYRK1ACLK2CLK3WNT1
SCHEMBL18451917 0.88 DYRK1A (0.58) DYRK1ACLK2CLK3WNT1
SCHEMBL18452461 0.87 DYRK1A (0.52) DYRK1ACLK2CLK3WNT1
SCHEMBL18452872 0.87 CLK3 (0.60) DYRK1ACLK2CLK3WNT1
SCHEMBL18452025 0.86 DYRK1A (0.55) DYRK1ACLK2CLK3WNT1
SCHEMBL18452639 0.85 DYRK1A (0.59) DYRK1ACLK2CLK3WNT1
SCHEMBL18451728 0.85 DYRK1A (0.70) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180221352-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC 2018-08-09 — — US claimed
US-20180221352-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC 2018-08-09 — — US disclosed
US-20180221352-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC 2018-08-09 — — US disclosed
WO-2017023981-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]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-20180221352-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF WNT1, WNT3A, WNT3 DYRK1A 896/4885CLK2 2019/4885CLK3 2160/4885

“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.

Send feedback