SCHEMBL573402

SCHEMBL573402

Nc1nccc(-c2c[nH]c3ccccc23)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 1.00
CDK5 Q00535 8/20 1.00
CDK5R1 Q15078 8/20 1.00
DYRK1A Q13627 7/20 1.00
CLK1 P49759 6/20 1.00
MAP3K14 Q99558 5/20 1.00
NFATC1 O95644 1/20 0.69
PDPK1 O15530 3/20 0.67
CCNT1 O60563 2/20 0.67
CCNA2 P20248 2/20 0.67
CDK2 P24941 2/20 0.67
CDK9 P50750 2/20 0.67
CCNA1 P78396 2/20 0.67
CCNB2 O95067 4/20 0.66
CDK1 P06493 4/20 0.66
CCNB1 P14635 4/20 0.66
PRKACA P17612 4/20 0.66
PRKACG P22612 4/20 0.66
PRKACB P22694 4/20 0.66
CCNB3 Q8WWL7 4/20 0.66

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
SCHEMBL29488162 1.00 GSK3B (1.00) GSK3BCDK5CDK5R1DYRK1ACLK1
SCHEMBL20030496 0.84 DYRK1A (0.72) GSK3BCDK5CDK5R1DYRK1ACLK1
SCHEMBL145566 0.82 GSK3B (0.70) GSK3BCDK5CDK5R1DYRK1ACLK1
SCHEMBL3658484 0.82 DYRK1A (1.00) GSK3BCDK5CDK5R1DYRK1ACLK1
SCHEMBL12701223 0.82 GSK3B (0.79) GSK3BCDK5CDK5R1DYRK1ACLK1
SCHEMBL3818537 0.81 DYRK1A (0.68) GSK3BCDK5CDK5R1DYRK1ACLK1
SCHEMBL29534011 0.81 DYRK1A (0.68) GSK3BCDK5CDK5R1DYRK1ACLK1
SCHEMBL4564892 0.81 DYRK1A (0.68) GSK3BCDK5CDK5R1DYRK1ACLK1
SCHEMBL3615777 0.80 GSK3B (0.67) GSK3BCDK5CDK5R1DYRK1ACLK1
Meriolin 1 SCHEMBL2241315 0.80 CDK9 (1.00) GSK3BCDK5CDK5R1DYRK1ACLK1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116789650-A 2-amino-4-indolyl pyrimidine compound and preparation system and application thereof 安徽理工大学 2023-09-22 CN claimed
CN-112174938-A 4-indole-2-aminopyrimidine compounds and application thereof 浙江工业大学 2021-01-05 CN claimed
US-20090318446-A1 4-(1H-Indol-3-yl)-Pyrimidin-2-Ylamine Derivatives and Their Use in Therapy CYCLACEL LIMITED (GB) 2009-12-24 US claimed
CN-101111490-A 4- (1H-indol-3-yl) -pyrimidin-2-ylamine derivatives and their therapeutic use CYCLACEL LTD (GB) 2008-01-23 CN claimed
EP-1836194-A1 4- (1H-INDOL-3-YL) -PYRIMIDIN-2-YLAMINE DERIVATES AND THEIR USE IN THERAPY Cyclacel Limited (GB) 2007-09-26 EP claimed
WO-2006075152-A1 4- (1H-INDOL-3-YL) -PYRIMIDIN-2-YLAMINE DERIVATES AND THEIR USE IN THERAPY CYCLACEL LIMITED (GB) 2006-07-20 WO claimed
WO-2023178928-A1 2-AMINO-4-INDOLYL PYRIMIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USES THEREOF 中国药科大学 2023-09-28 WO disclosed
CN-116789650-A 2-amino-4-indolyl pyrimidine compound and preparation system and application thereof 安徽理工大学 2023-09-22 CN disclosed
CN-115925686-A Meridianin derivatives, coupling synthesis method and application thereof promoted by Lewis acid 贵州医科大学 2023-04-07 CN disclosed
EP-4119551-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS Astrazeneca AB (SE) 2023-01-18 EP disclosed
CN-113563310-B 4- (1-methylindol-3-yl) pyrimidine derivative and application thereof 浙江工业大学 2022-10-11 CN disclosed
CN-113563310-B 4- (1-methylindol-3-yl) pyrimidine derivative and application thereof 浙江工业大学 2022-10-11 CN disclosed
CN-113563310-A 4- (1-methylindol-3-yl) pyrimidine derivative and application thereof 浙江工业大学 2021-10-29 CN disclosed
US-20090318446-A1 4-(1H-Indol-3-yl)-Pyrimidin-2-Ylamine Derivatives and Their Use in Therapy CYCLACEL LIMITED (GB) 2009-12-24 US disclosed
US-20090318446-A1 4-(1H-Indol-3-yl)-Pyrimidin-2-Ylamine Derivatives and Their Use in Therapy CYCLACEL LIMITED (GB) 2009-12-24 US disclosed
CN-101111490-A 4- (1H-indol-3-yl) -pyrimidin-2-ylamine derivatives and their therapeutic use CYCLACEL LTD (GB) 2008-01-23 CN disclosed
CN-101111490-A 4- (1H-indol-3-yl) -pyrimidin-2-ylamine derivatives and their therapeutic use CYCLACEL LTD (GB) 2008-01-23 CN disclosed
EP-1836194-A1 4- (1H-INDOL-3-YL) -PYRIMIDIN-2-YLAMINE DERIVATES AND THEIR USE IN THERAPY Cyclacel Limited (GB) 2007-09-26 EP disclosed
WO-2006075152-A1 4- (1H-INDOL-3-YL) -PYRIMIDIN-2-YLAMINE DERIVATES AND THEIR USE IN THERAPY CYCLACEL LIMITED (GB) 2006-07-20 WO disclosed
EP-0422178-A1 PYRIMIDINE DERIVATIVES. ICI PLC (GB) 1991-04-17 EP 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 (1 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-20090318446-A1 4-(1H-Indol-3-yl)-Pyrimidin-2-Ylamine Derivatives and Their Use in Therapy ABL1, CDK2, JAK2 GSK3B 110/4885CDK5 14/4885CDK5R1 138/4885

“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.