SCHEMBL20398053

SCHEMBL20398053

CN(C)CCNc1cc(F)cc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)cc45)cc23)c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 14/20 0.66
▸ DYRK1A Q13627 13/20 0.66
▸ CLK3 P49761 12/20 0.66
▸ WNT1 P04628 6/20 0.58

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
SCHEMBL18480293 0.93 CLK2 (0.64) CLK2DYRK1ACLK3WNT1
SCHEMBL18480295 0.91 CLK2 (0.62) CLK2DYRK1ACLK3WNT1
SCHEMBL18442115 0.91 CLK2 (0.64) CLK2DYRK1ACLK3WNT1
SCHEMBL20451171 0.91 CLK2 (0.70) CLK2DYRK1ACLK3WNT1
SCHEMBL18447548 0.91 CLK2 (0.60) CLK2DYRK1ACLK3WNT1
SCHEMBL18441492 0.90 CLK2 (0.68) CLK2DYRK1ACLK3WNT1
SCHEMBL18441619 0.90 CLK2 (0.68) CLK2DYRK1ACLK3WNT1
SCHEMBL18441130 0.90 CLK2 (0.77) CLK2DYRK1ACLK3WNT1
SCHEMBL20454975 0.90 CLK2 (0.60) CLK2DYRK1ACLK3WNT1
SCHEMBL18442035 0.89 CLK2 (0.62) 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-20180207141-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2018-07-26 — — US claimed
US-10350199-B2 3-(1h-pyrrolo[2,3-b]pyridin-2-yl)-1h-indazoles and therapeutic uses thereof SAMUMED, LLC (US) 2019-07-16 — — US disclosed
US-20180207141-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2018-07-26 — — US disclosed
US-20180207141-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2018-07-26 — — 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-10350199-B2 3-(1h-pyrrolo[2,3-b]pyridin-2-yl)-1h-indazoles and therapeutic uses thereof WNT1, WNT3, WNT3A CLK2 779/4885DYRK1A 513/4885CLK3 759/4885
US-20180207141-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A CLK2 779/4885DYRK1A 513/4885CLK3 759/4885

“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.

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