SCHEMBL4891722

SCHEMBL4891722

CCOC(=O)c1cc(-c2ccc(OC)cc2)[nH]c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
HPGD P15428 7/20 0.53
KDM4E B2RXH2 7/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MAPT P10636 3/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
CASP3 P42574 1/20 0.53
KMT2A Q03164 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPK10 P53779 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
GRM6 O15303 1/20 0.50
JAK2 O60674 1/20 0.49

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
SCHEMBL28411840 0.88 GCGR (0.51) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL7500235 0.86 LMNA (0.54) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL7497896 0.86 ALDH1A1 (0.57) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL4483951 0.86 GCGR (0.47) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL18342044 0.85 MEN1 (0.55) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL6268999 0.85 MEN1 (0.51) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL7997890 0.85 ALDH1A1 (0.56) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL3979153 0.83 GCGR (0.65) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL1894939 0.82 MEN1 (0.52) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL4717541 0.82 GCGR (0.46) ALDH1A1HPGDKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
US-20080161320-A1 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-07-03 US disclosed
US-20080161320-A1 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-07-03 US disclosed
US-20080161320-A1 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-07-03 US disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 WO disclosed
WO-2008033745-A2 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-03-20 WO disclosed
EP-0836605-B1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2002-02-06 EP disclosed
US-6140332-A Pyrrolopyrimidines and processes for the preparation thereof NOVARTIS AG (CH) 2000-10-31 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 (2 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 ALDH1A1 2328/4885HPGD 2142/4885KDM4E 916/4885
US-20080161320-A1 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY HDAC1, HDAC2, BAZ2A ALDH1A1 3148/4885HPGD 1833/4885KDM4E 796/4885

“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.