SCHEMBL4172089

SCHEMBL4172089

O=CNc1ccc2[nH]c(=O)c3[nH]cc(CCC(=O)O)c3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
GPR17 Q13304 1/20 0.38
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
AKT2 P31751 1/20 0.35
BRD4 O60885 3/20 0.34
PARP1 P09874 2/20 0.34
TNKS O95271 1/20 0.34
PARP15 Q460N3 1/20 0.34
PARP14 Q460N5 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP12 Q9H0J9 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
PARP4 Q9UKK3 1/20 0.34
PARP3 Q9Y6F1 1/20 0.34
ZAP70 P43403 1/20 0.33
SERPINE1 P05121 3/20 0.33
TRPM2 O94759 1/20 0.33

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
SCHEMBL4166962 0.87 HPGD (0.42) HPGDCYP2C19GPR17CA12CA9
Hydrochloric Acid SCHEMBL4168323 0.86 HPGD (0.41) HPGDCYP2C19GPR17CA12CA9
SCHEMBL3246300 0.85 HPGD (0.47) HPGDCYP2C19CA12CA9AKT2
SCHEMBL4159606 0.83 SPR (0.46) HPGDCYP2C19GPR17CA12CA9
SCHEMBL3245758 0.82 BRD4 (0.56) BRD4PARP1TNKSPARP15PARP14
SCHEMBL4157962 0.82 HPGD (0.40) HPGDCYP2C19GPR17CA12CA9
SCHEMBL4160621 0.81 MPO (0.49) HPGDCYP2C19GPR17SERPINE1
SCHEMBL3245032 0.81 CYP1A2 (0.40) CA12CA9BRD4PARP1TNKS
SCHEMBL4155432 0.81 CYP2C19 (0.44) HPGDCYP2C19GPR17PARP1
SCHEMBL4169910 0.81 HPGD (0.44) HPGDCYP2C19GPR17PARP1SERPINE1

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 2 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
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 HPGD 882/4885CYP2C19 4277/4885GPR17 2461/4885

“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.