SCHEMBL3245758

SCHEMBL3245758

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(NC(=O)c4ccccc4)cc3c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.56
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
STK17B O94768 1/20 0.42
STK17A Q9UEE5 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TYMS P04818 1/20 0.41
PSMB8 P28062 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP14 Q460N5 1/20 0.41

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
SCHEMBL3246300 0.87 HPGD (0.47) BRD4MAPTMAOAKMT2AALDH1A1
SCHEMBL4166962 0.84 HPGD (0.42) BRD4ALDH1A1TNKSPARP1PARP15
Hydrochloric Acid SCHEMBL4168323 0.83 HPGD (0.41) BRD4ALDH1A1TNKSPARP1PARP15
SCHEMBL4159922 0.83 HPGD (0.41) RAB9ATYMSSMN1; SMN2ALDH1A1PARP1
SCHEMBL4172089 0.82 HPGD (0.40) BRD4TNKSPARP1PARP15PARP14
SCHEMBL4158099 0.82 BRD4 (0.54) BRD4AURKAAURKB
SCHEMBL3251105 0.82 BRD4 (0.62) BRD4JAK2JAK1MAPTNPC1
SCHEMBL4153837 0.81 GPR17 (0.45) MAPTPARP1FGFR1
SCHEMBL4169903 0.81 HTR1A (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1PARP1
SCHEMBL4157612 0.81 BRD4 (0.58) BRD4KMT2AMEN1SMN1; SMN2ALDH1A1

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 claimed
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP 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 BRD4 545/4885JAK2 70/4885JAK1 136/4885

“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.