SCHEMBL1509545

SCHEMBL1509545

Nc1c(C(=O)O)cnn1-c1ncc2c(n1)-c1ccccc1CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 1/20 0.51
DCUN1D1 Q96GG9 1/20 0.51
KDM4E B2RXH2 7/20 0.50
ALDH1A1 P00352 5/20 0.50
CYP1A2 P05177 4/20 0.50
CYP3A4 P08684 4/20 0.50
CYP2C19 P33261 3/20 0.50
POLB P06746 3/20 0.50
GAA P10253 2/20 0.50
SLC2A1 P11166 1/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 4/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KPNA2 P52292 1/20 0.41
HPGD P15428 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
SCHEMBL14090180 0.90 UBE2M (0.52) UBE2MDCUN1D1KDM4EALDH1A1CYP1A2
SCHEMBL1509453 0.84 ALDH1A1 (0.55) UBE2MDCUN1D1KDM4EALDH1A1CYP1A2
SCHEMBL4757948 0.83 NPC1 (0.45) UBE2MDCUN1D1KDM4EALDH1A1SLC2A1
SCHEMBL14090176 0.79 CYP1A2 (0.49) UBE2MDCUN1D1KDM4EALDH1A1CYP1A2
SCHEMBL14090177 0.71 KDM4E (0.48) UBE2MDCUN1D1KDM4EALDH1A1CYP1A2
SCHEMBL27700563 0.70 RIPK2 (0.49) KDM4EALDH1A1POLBMAPTMEN1
SCHEMBL1335080 0.68 RIPK2 (0.78) ALDH1A1POLBMAPTL3MBTL1HPGD
SCHEMBL4990063 0.68 KDM4E (1.00) KDM4EALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL29929816 0.68 KDM4E (1.00) KDM4EALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL22872162 0.68 UBE2M (0.45) UBE2MDCUN1D1KDM4EALDH1A1CYP1A2

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-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 EP disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 UBE2M 2600/4885DCUN1D1 2771/4885KDM4E 2432/4885

“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.