SCHEMBL4157735

SCHEMBL4157735

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(-c4cccnc4)cc3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.44
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CDK7 P50613 1/20 0.40
CYP2C19 P33261 2/20 0.39
PTGES O14684 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMO O15229 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
DYRK1A Q13627 7/20 0.38
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
GPR17 Q13304 1/20 0.38

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
SCHEMBL4153837 0.89 GPR17 (0.45) NR4A2CDK4CCND1CYP2C19GPR17
SCHEMBL4166164 0.85 GPR17 (0.40) CDK4CCND1CYP2C19CYP2C9GPR17
SCHEMBL4164405 0.84 GPR17 (0.40) CYP2C19GPR17HPGD
SCHEMBL4157563 0.84 HPGD (0.49) CYP2C19GPR17HPGDCHEK1WEE1
SCHEMBL4163088 0.83 GRIN2D (0.45) CYP2C19GPR17HPGDCHEK1WEE1
SCHEMBL3241765 0.83 NR4A2 (0.53) NR4A2CDK7CYP2C19PTGESCYP3A4
SCHEMBL4162598 0.83 HPGD (0.52) CYP2C19MMP2MMP13GPR17HPGD
SCHEMBL4153796 0.82 TRIM24 (0.39) CYP2C19GPR17HPGD
SCHEMBL14605596 0.82 NR4A2 (0.57) NR4A2CDK4CCND1CDK7CYP2C19
SCHEMBL4162119 0.82 RIOK2 (0.45)

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 4 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 claimed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 US claimed
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 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 (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 NR4A2 3122/4885CDK4 103/4885CCND1 988/4885

“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.