SCHEMBL22264361

SCHEMBL22264361

COc1cc(C(=O)N2CCC(N3CCOCC3)CC2)c(F)cc1Nc1nc(O[C@H]2CCOC2)c2c(C#N)c[nH]c2n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 12/20 0.53
▸ TTK P33981 2/20 0.50
▸ DYRK1A Q13627 4/20 0.45
▸ TBK1 Q9UHD2 1/20 0.43
▸ CLK1 P49759 3/20 0.43
▸ CLK2 P49760 3/20 0.43
▸ DYRK3 O43781 1/20 0.43
▸ CSNK1E P49674 1/20 0.43
▸ CLK3 P49761 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ DYRK1B Q9Y463 1/20 0.43

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
SCHEMBL22264362 1.00 LRRK2 (0.53) LRRK2TTKDYRK1ATBK1CLK1
SCHEMBL22264430 0.95 LRRK2 (0.58) LRRK2TTKCLK1CLK2
SCHEMBL22264432 0.95 LRRK2 (0.58) LRRK2TTKCLK1CLK2
SCHEMBL22264426 0.88 TTK (0.65) LRRK2TTKDYRK1ACLK1CLK2
SCHEMBL22264376 0.87 LRRK2 (0.66) LRRK2TTKDYRK1A
SCHEMBL22264261 0.86 LRRK2 (0.67) LRRK2TTKDYRK1ACLK1CLK2
SCHEMBL22264320 0.86 TTK (0.66) LRRK2TTKDYRK1A
SCHEMBL22280092 0.85 TTK (0.67) LRRK2TTKDYRK1ACLK1CLK2
SCHEMBL22264260 0.84 LRRK2 (0.60) LRRK2TTKDYRK1ACLK1CLK2
SCHEMBL21609941 0.84 DYRK1A (0.59) LRRK2TTKDYRK1ACLK1CLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200239474-A1 PYRROLO-PYRIMIDINE DERIVATIVE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME COMPOUND AS EFFECTIVE INGREDIENT FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2020-07-30 — — US claimed
US-11208412-B2 Pyrrolo-pyrimidine derivative compound, preparation method therefor, and pharmaceutical composition comprising same compound as effective ingredient for preventing or treating protein kinase-related disease DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2021-12-28 — — US disclosed
US-11208412-B2 Pyrrolo-pyrimidine derivative compound, preparation method therefor, and pharmaceutical composition comprising same compound as effective ingredient for preventing or treating protein kinase-related disease DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2021-12-28 — — US disclosed
US-20200239474-A1 PYRROLO-PYRIMIDINE DERIVATIVE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME COMPOUND AS EFFECTIVE INGREDIENT FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2020-07-30 — — US disclosed
US-20200239474-A1 PYRROLO-PYRIMIDINE DERIVATIVE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME COMPOUND AS EFFECTIVE INGREDIENT FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2020-07-30 — — 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-11208412-B2 Pyrrolo-pyrimidine derivative compound, preparation method therefor, and pharmaceutical composition comprising same compound as effective ingredient for preventing or treating protein kinase-related disease LRRK2, WEE1, WEE2 LRRK2 1/4885TTK 1047/4885DYRK1A 897/4885
US-20200239474-A1 PYRROLO-PYRIMIDINE DERIVATIVE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME COMPOUND AS EFFECTIVE INGREDIENT FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE LRRK2, WEE1, WEE2 LRRK2 1/4885TTK 1047/4885DYRK1A 897/4885

“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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