SCHEMBL18444620

SCHEMBL18444620

O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5cnccc5[nH]4)c3c2)c1)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 16/20 0.78
▸ CLK3 P49761 16/20 0.78
▸ DYRK1A Q13627 16/20 0.78
▸ ITK Q08881 1/20 0.63
▸ WNT1 P04628 2/20 0.62
▸ CDK7 P50613 1/20 0.56

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
SCHEMBL18448271 0.93 CLK2 (0.77) CLK2CLK3DYRK1AITKWNT1
SCHEMBL18446680 0.93 CLK2 (0.74) CLK2CLK3DYRK1AITKWNT1
SCHEMBL18437174 0.90 CLK2 (0.77) CLK2CLK3DYRK1AITKWNT1
SCHEMBL18441313 0.89 CLK2 (0.75) CLK2CLK3DYRK1AITKWNT1
SCHEMBL18440126 0.88 CLK2 (1.00) CLK2CLK3DYRK1AITKWNT1
SCHEMBL18486888 0.87 CLK2 (0.86) CLK2CLK3DYRK1AWNT1
SCHEMBL18444193 0.87 CLK2 (1.00) CLK2CLK3DYRK1AWNT1
SCHEMBL18451399 0.87 CLK2 (0.77) CLK2CLK3DYRK1AITK
SCHEMBL20455121 0.86 CLK2 (1.00) CLK2CLK3DYRK1AWNT1CDK7
SCHEMBL18448443 0.85 CLK3 (0.87) CLK2CLK3DYRK1AWNT1

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 7 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
WO-2017024010-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO 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
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
WO-2017024010-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-INDAZOLES 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 (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 788/4885CLK3 683/4885DYRK1A 545/4885
US-20180221350-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A CLK2 788/4885CLK3 683/4885DYRK1A 545/4885

“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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