SCHEMBL22280258

SCHEMBL22280258

CCNc1nc(Nc2ccc(C(=O)NC3CCN(C4COC4)CC3)cc2OC)nc2[nH]cc(C)c12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 9/20 0.58
▸ TTK P33981 6/20 0.50
▸ CLK1 P49759 4/20 0.48
▸ CLK2 P49760 4/20 0.48
▸ BRD4 O60885 2/20 0.47
▸ DYRK3 O43781 1/20 0.46
▸ CSNK1E P49674 1/20 0.46
▸ CLK3 P49761 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ DYRK1B Q9Y463 1/20 0.46
▸ AURKA O14965 1/20 0.46
▸ AURKB Q96GD4 1/20 0.46
▸ PLK1 P53350 1/20 0.45
▸ BRDT Q58F21 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
SCHEMBL22264280 0.91 TTK (0.59) LRRK2TTKCLK1CLK2DYRK3
SCHEMBL22264388 0.83 TTK (0.60) LRRK2TTKCLK1CLK2
SCHEMBL22985885 0.81 LRRK2 (0.85) LRRK2TTKCLK1CLK2DYRK3
SCHEMBL22264371 0.81 TTK (0.59) LRRK2TTKCLK1CLK2BRD4
SCHEMBL22280277 0.78 LRRK2 (0.51) LRRK2TTKDYRK1APLK1
SCHEMBL22280093 0.78 DYRK1A (0.63) LRRK2CLK1CLK2DYRK3CSNK1E
SCHEMBL22264345 0.78 TTK (0.69) LRRK2TTKCLK1CLK2DYRK3
SCHEMBL25108049 0.78 LRRK2 (0.67) LRRK2TTKCLK1CLK2DYRK3
SCHEMBL22264278 0.75 TTK (0.51) LRRK2TTKCLK1CLK2DYRK3
SCHEMBL18018931 0.74 LRRK2 (0.88) LRRK2TTKCLK1CLK2DYRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1047/4885CLK1 639/4885
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 1047/4885CLK1 639/4885

“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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