SCHEMBL21611051

SCHEMBL21611051

COc1cc(C(=O)N2CCC(N3CCOCC3)CC2)cnc1Nc1cc(OC)c2c(C#N)c[nH]c2n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.55
▸ DYRK1A Q13627 9/20 0.53
▸ DYRK3 O43781 1/20 0.53
▸ CSNK1E P49674 1/20 0.53
▸ CLK1 P49759 1/20 0.53
▸ CLK2 P49760 1/20 0.53
▸ CLK3 P49761 1/20 0.53
▸ CLK4 Q9HAZ1 1/20 0.53
▸ DYRK1B Q9Y463 1/20 0.53
▸ LRRK2 Q5S007 9/20 0.47
▸ EGLN1 Q9GZT9 1/20 0.41

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
SCHEMBL21611042 0.95 DYRK1A (0.53) TTKDYRK1ADYRK3CSNK1ECLK1
SCHEMBL21738228 0.93 TTK (0.52) TTKDYRK1ADYRK3CSNK1ECLK1
SCHEMBL21611065 0.92 TTK (0.56) TTKDYRK1ADYRK3CSNK1ECLK1
SCHEMBL21661690 0.89 DYRK1A (0.56) TTKDYRK1ADYRK3CSNK1ECLK1
SCHEMBL21638145 0.89 DYRK1A (0.67) TTKDYRK1ADYRK3CSNK1ECLK1
SCHEMBL21738218 0.88 TTK (0.56) TTKDYRK1ADYRK3CSNK1ECLK1
SCHEMBL21611049 0.87 TTK (0.53) TTKDYRK1ADYRK3CSNK1ECLK1
SCHEMBL21738262 0.87 TTK (0.56) TTKDYRK1ADYRK3CSNK1ECLK1
SCHEMBL21609963 0.86 TTK (0.52) TTKDYRK1ADYRK3CSNK1ECLK1
SCHEMBL21611008 0.85 TTK (0.55) TTKDYRK1ALRRK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11117892-B2 Pyrrolo-pyridine derivative compound, method for preparing same, and pharmaceutical composition containing same as active ingredient for prevention or treatment of protein kinase-related diseases DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION 2021-09-14 — — US disclosed
US-20200207756-A1 PYRROLO-PYRIDINE DERIVATIVE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF PROTEIN KINASE-RELATED DISEASES DAEGU GYEONGBUK INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-07-02 — — US disclosed
WO-2018174650-A9 PYRROLO-PYRIDINE DERIVATIVE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF PROTEIN KINASE-RELATED DISEASES 재단법인 대구경북첨단의료산업진흥재단 2020-01-02 — — 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-11117892-B2 Pyrrolo-pyridine derivative compound, method for preparing same, and pharmaceutical composition containing same as active ingredient for prevention or treatment of protein kinase-related diseases DYRK1A, DYRK2, DYRK1B TTK 100/4885DYRK1A 1/4885DYRK3 4/4885
US-20200207756-A1 PYRROLO-PYRIDINE DERIVATIVE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF PROTEIN KINASE-RELATED DISEASES DYRK1A, DYRK2, DYRK4 TTK 93/4885DYRK1A 1/4885DYRK3 5/4885

“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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