SCHEMBL4002802

SCHEMBL4002802

Cn1cc(C(=O)C(=O)O)c2ccc(F)cc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.47
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
CNR2 P34972 2/20 0.42
CDK2 P24941 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
DRD2 P14416 1/20 0.40
SLC6A4 P31645 1/20 0.40
PCSK9 Q8NBP7 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR4A2 P43354 1/20 0.39
ATM Q13315 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL4009106 0.88 ALDH1A1 (0.53) SERPINE1ALDH1A1KDM4EPOLBHTT
SCHEMBL30568943 0.87 IDO1 (0.49) IDO1TDO2ALDH1A1KDM4EPOLB
SCHEMBL2439483 0.87 IDO1 (0.49) IDO1TDO2ALDH1A1KDM4EPOLB
SCHEMBL7506054 0.86 IDO1 (0.46) SERPINE1IDO1TDO2ALDH1A1KDM4E
SCHEMBL30568918 0.83 IDO1 (0.54) IDO1TDO2ALDH1A1KDM4EPOLB
SCHEMBL7522675 0.81 ALDH1A1 (0.44) SERPINE1ALDH1A1POLBCDK2SMN1; SMN2
SCHEMBL7525730 0.81 KMT2A (0.44) SERPINE1ALDH1A1KDM4EPOLBCDK2
SCHEMBL18067567 0.81 POLB (0.68) IDO1TDO2POLBCNR2HTT
SCHEMBL7521529 0.81 HTT (0.44) SERPINE1ALDH1A1KDM4EPOLBCNR2
SCHEMBL29164521 0.80 HTT (0.66) IDO1TDO2ALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517881-B2 Triazine derivatives, their preparation and therapeutic application thereof AVENTIS PHARMA S.A. (FR) 2009-04-14 US disclosed
US-20080096891-A1 TRIAZINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMA S.A. (FR) 2008-04-24 US disclosed
CN-1193027-C Substituted pyrroles HOFFMANN LA ROCHE (CH) 2005-03-16 CN disclosed
CN-1411457-A Substituted pyrroles HOFFMANN LA ROCHE (CH) 2003-04-16 CN disclosed
EP-1242409-A2 SUBSTITUTED BISINDOLYLMALEIMIDES F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 EP disclosed
US-6281356-B1 ANTICANRCER AGENTS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
WO-2001046178-A2 SUBSTITUIERTE BISINDOLYMALEIMIDE F. HOFFMANN-LA ROCHE AG (CH) 2001-06-28 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-20080096891-A1 TRIAZINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION THEREOF CYP11B2, IL5, TBXA2R SERPINE1 1737/4885IDO1 509/4885TDO2 628/4885

“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.