SCHEMBL3658484

SCHEMBL3658484

Nc1nccc(-c2c[nH]c3cnccc23)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 1.00
GSK3B P49841 8/20 1.00
NFATC1 O95644 1/20 1.00
CDK2 P24941 4/20 0.70
DYRK1B Q9Y463 3/20 0.70
PIM1 P11309 2/20 0.70
HASPIN Q8TF76 1/20 0.70
CDK5 Q00535 5/20 0.69
CDK5R1 Q15078 5/20 0.69
MAP3K14 Q99558 5/20 0.69
CLK1 P49759 4/20 0.69
CCNB2 O95067 3/20 0.63
CDK1 P06493 3/20 0.63
CCNB1 P14635 3/20 0.63
PRKACA P17612 3/20 0.63
PRKACG P22612 3/20 0.63
PRKACB P22694 3/20 0.63
CCNB3 Q8WWL7 3/20 0.63
CSNK1A1 P48729 2/20 0.63
CSNK1D P48730 2/20 0.63

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
SCHEMBL12701223 0.88 GSK3B (0.79) DYRK1AGSK3BNFATC1CDK2DYRK1B
SCHEMBL27142194 0.82 DYRK1A (0.70) DYRK1AGSK3BNFATC1CDK2DYRK1B
SCHEMBL29488162 0.82 GSK3B (1.00) DYRK1AGSK3BNFATC1CDK2PIM1
SCHEMBL573402 0.82 GSK3B (1.00) DYRK1AGSK3BNFATC1CDK2PIM1
SCHEMBL27849262 0.80 DYRK1A (0.66) DYRK1AGSK3BNFATC1CDK2DYRK1B
SCHEMBL13051138 0.79 DYRK1A (0.65) DYRK1AGSK3BNFATC1CDK2DYRK1B
SCHEMBL16205676 0.79 GSK3B (0.71) DYRK1AGSK3BNFATC1CDK2PIM1
SCHEMBL23175317 0.77 GSK3B (0.71) DYRK1AGSK3BNFATC1CDK2PIM1
Meridianin D SCHEMBL31094009 0.77 GSK3B (1.00) DYRK1AGSK3BNFATC1CDK2PIM1
SCHEMBL29488165 0.77 MAP3K14 (0.80) DYRK1AGSK3BNFATC1CDK2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292262-A1 4 (PYRROLO[2,3-C]PYRIDINE-3-YL)PYRIMIDIN-2-AMINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-11-18 US claimed
EP-3039015-B1 SUBSTITUTED PYRIMIDINE BMI-1 INHIBITORS PTC THERAPEUTICS INC (US) 2019-10-30 EP disclosed
CN-101918404-A 4-(pyrrolo[2,3-c]pyridine-3-yl)-pyrimidine-2-amine derivatives MERCK PATENT GMBH 2010-12-15 CN disclosed
US-20100292262-A1 4 (PYRROLO[2,3-C]PYRIDINE-3-YL)PYRIMIDIN-2-AMINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-11-18 US disclosed
US-20100292262-A1 4 (PYRROLO[2,3-C]PYRIDINE-3-YL)PYRIMIDIN-2-AMINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-11-18 US disclosed
EP-2231664-A1 4-(PYRROLOÝ2,3-C¨PYRIDINE-3-YL)-PYRIMIDINE-2-AMINE DERIVATIVES Merck Patent GmbH (DE) 2010-09-29 EP disclosed
WO-2009092431-A1 4-(PYRROLO[2,3-C]PYRIDINE-3-YL)-PYRIMIDINE-2-AMINE DERIVATIVES MERCK PATENT GMBH (DE) 2009-07-30 WO disclosed
WO-2009092431-A1 4-(PYRROLO[2,3-C]PYRIDINE-3-YL)-PYRIMIDINE-2-AMINE DERIVATIVES MERCK PATENT GMBH (DE) 2009-07-30 WO disclosed
WO-2009092431-A1 4-(PYRROLO[2,3-C]PYRIDINE-3-YL)-PYRIMIDINE-2-AMINE DERIVATIVES MERCK PATENT GMBH (DE) 2009-07-30 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 (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-20100292262-A1 4 (PYRROLO[2,3-C]PYRIDINE-3-YL)PYRIMIDIN-2-AMINE DERIVATIVES MKI67, CDK4, CCNT1 DYRK1A 2428/4885GSK3B 1642/4885NFATC1 105/4885

“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.