SCHEMBL3254445

SCHEMBL3254445

N#Cc1c[nH]c2c(=O)[nH]c3ccccc3c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.52
CLK1 P49759 2/20 0.52
IMPDH2 P12268 1/20 0.51
IMPDH1 P20839 1/20 0.51
PDE9A O76083 4/20 0.46
CHEK1 O14757 2/20 0.45
CDK5 Q00535 3/20 0.45
CDK5R1 Q15078 3/20 0.45
CLK2 P49760 1/20 0.45
CLK3 P49761 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
DPYD Q12882 1/20 0.45
TNKS O95271 2/20 0.43
TNKS2 Q9H2K2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 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
SCHEMBL14623787 0.76 MEN1 (0.54) CHEK1CDK5CDK5R1TNKSTNKS2
SCHEMBL3247782 0.73 KDM4E (0.54) DYRK1ACHEK1TNKSTNKS2MEN1
SCHEMBL3236817 0.73 CHEK1 (0.66) CHEK1CDK5CDK5R1TNKSTNKS2
SCHEMBL29391464 0.73 CHEK1 (0.66) CHEK1CDK5CDK5R1TNKSTNKS2
SCHEMBL3243045 0.72 PIM3 (0.59) DYRK1ACHEK1TNKSTNKS2MEN1
SCHEMBL14624979 0.72 CHEK1 (0.44) CHEK1CDK5CDK5R1TNKSTNKS2
SCHEMBL3251592 0.72 PBRM1 (0.55) CHEK1TNKSTNKS2MEN1KMT2A
SCHEMBL14624992 0.71 PIM3 (0.48) CHEK1CDK5CDK5R1TNKSTNKS2
SCHEMBL14624981 0.71 CHEK1 (0.40) CHEK1TNKSTNKS2MEN1KMT2A
SCHEMBL5010332 0.70 IMPDH2 (0.72) DYRK1AIMPDH2IMPDH1KDM4EALDH1A1

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-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 US disclosed
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP disclosed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 DYRK1A 1436/4885CLK1 776/4885IMPDH2 1829/4885

“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.