SCHEMBL2199077

SCHEMBL2199077

CCOC(=O)c1cc(C(=O)OCC)c(N)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
MMP2 P08253 1/20 0.51
MMP13 P45452 1/20 0.51
LMNA P02545 4/20 0.50
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 5/20 0.49
HPGD P15428 4/20 0.49
RAB9A P51151 3/20 0.49
HSD17B10 Q99714 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 5/20 0.48
NPC1 O15118 3/20 0.48
GLA P06280 1/20 0.48
ATM Q13315 1/20 0.48
MAPK1 P28482 1/20 0.47
TSHR P16473 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL3692361 0.84 KDM4E (0.55) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL11647465 0.82 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1MMP2MMP13
SCHEMBL13627445 0.81 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL5080227 0.81 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1MMP2MMP13
SCHEMBL5080210 0.79 ALOX15 (0.54) ALDH1A1KMT2AMEN1MMP2MMP13
SCHEMBL3061979 0.79 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL4420290 0.79 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1MMP2MMP13
SCHEMBL13330085 0.77 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1MMP2MMP13
SCHEMBL28411840 0.75 GCGR (0.51) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL7997890 0.75 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977345-B2 c-MET modulators and method of use EXELIXIS, INC. (US) 2011-07-12 US disclosed
US-7977345-B2 c-MET modulators and method of use EXELIXIS, INC. (US) 2011-07-12 US disclosed
EP-1773826-A4 C-MET MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2009-06-03 EP disclosed
EP-0938486-B1 SUBSTITUTED PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2008-01-16 EP disclosed
US-20070179130-A1 c-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. 2007-08-02 US disclosed
US-20070179130-A1 c-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. 2007-08-02 US disclosed
US-20070179130-A1 c-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. 2007-08-02 US disclosed
EP-1773826-A2 C-MET MODULATORS AND METHOD OF USE Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006014325-A2 C-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2006-02-09 WO disclosed
EP-0836605-B1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2002-02-06 EP disclosed
US-6180636-B1 USED TO INHIBIT THE TYROSINE KINASE ACTIVITY OF THE RECEPTOR FOR THE EPIDERMAL GROWTH FACTOR AND C-ERBB2 KINASE AND CAN BE USED AS ANTITUMOR AGENTS NOVARTIS AG (CH) 2001-01-30 US 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 (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-20070179130-A1 c-MET MODULATORS AND METHOD OF USE FLT4, MET, KDR ALDH1A1 2382/4885KMT2A 1999/4885MEN1 1835/4885

“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.