SCHEMBL20455288

SCHEMBL20455288

COc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCCN(C)C)c6)cc45)cc23)c1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 16/20 0.70
DYRK1A Q13627 16/20 0.70
CLK3 P49761 15/20 0.62
WNT1 P04628 4/20 0.57
TGFBR1 P36897 1/20 0.45

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
SCHEMBL20454911 0.97 CLK2 (0.68) CLK2DYRK1ACLK3WNT1
SCHEMBL18444387 0.96 CLK2 (0.73) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL20465694 0.92 CLK2 (0.70) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL18444141 0.92 CLK2 (0.82) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL20452020 0.91 CLK2 (0.65) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL20455356 0.91 CLK2 (0.69) CLK2DYRK1ACLK3WNT1
SCHEMBL20455477 0.91 CLK2 (0.74) CLK2DYRK1ACLK3WNT1
SCHEMBL20455333 0.91 CLK2 (0.65) CLK2DYRK1ACLK3WNT1
SCHEMBL18446677 0.90 CLK2 (0.59) CLK2DYRK1ACLK3WNT1TGFBR1
SCHEMBL20454908 0.90 CLK2 (0.65) CLK2DYRK1ACLK3WNT1

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-10463651-B2 3-(1H-pyrrolo[3,2-C]pyridin-2-YL)-1H-indazoles and therapeutic uses thereof SAMUMED, LLC (US) 2019-11-05 US claimed
US-20180221350-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI (PLAN) PTE. LTD. (SG) 2018-08-09 US claimed
US-10463651-B2 3-(1H-pyrrolo[3,2-C]pyridin-2-YL)-1H-indazoles and therapeutic uses thereof SAMUMED, LLC (US) 2019-11-05 US disclosed
US-20180221350-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI (PLAN) PTE. LTD. (SG) 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-10463651-B2 3-(1H-pyrrolo[3,2-C]pyridin-2-YL)-1H-indazoles and therapeutic uses thereof WNT1, WNT3, WNT3A CLK2 788/4885DYRK1A 545/4885CLK3 683/4885
US-20180221350-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A CLK2 788/4885DYRK1A 545/4885CLK3 683/4885

“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.