SCHEMBL2179960

SCHEMBL2179960

CN(C(=O)O)c1ncccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.55
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 8/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ALOX15 P16050 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
BLM P54132 1/20 0.52
AGER Q15109 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
MYC P01106 1/20 0.46
DHODH Q02127 1/20 0.44
GAA P10253 2/20 0.42
EGLN1 Q9GZT9 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX12 P18054 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
SCHEMBL29448035 0.85 NAPRT (0.58) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL4290255 0.85 NAPRT (0.58) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL3463758 0.84 NAPRT (0.56) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL10427732 0.79 NAPRT (0.51) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL3078744 0.79 NAPRT (0.38) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL16967455 0.78 NAPRT (0.50) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL21121863 0.77 KDM4E (0.41) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL4117490 0.75 KDM4E (0.39) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL28694564 0.74 NAPRT (0.46) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL21119052 0.73 ALDH1A1 (0.51) NAPRTKDM4ETDP1ALDH1A1L3MBTL1

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-20110166174-A1 COMPOUNDS MODULATING C-KIT AND C-FMS ACTIVITY AND USES THEREFOR PLEXXIKON, INC. 2011-07-07 US disclosed
US-7846941-B2 Compounds modulating c-kit and c-fms activity and uses therefor PLEXXIKON, INC. (US) 2010-12-07 US disclosed
EP-1885723-A2 PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2008-02-13 EP disclosed
US-20070032519-A1 Compounds modulating c-kit and c-fms activity and uses therefor PLEXXIKON, INC. 2007-02-08 US disclosed
WO-2007013896-A2 PYRROL (2,3-B) PYRIDINE DERIVATIVES PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-02-01 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 (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-20110166174-A1 COMPOUNDS MODULATING C-KIT AND C-FMS ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 NAPRT 1994/4885KDM4E 2130/4885TDP1 3273/4885
US-20070032519-A1 Compounds modulating c-kit and c-fms activity and uses therefor KIT, FLT3, FLT1 NAPRT 1994/4885KDM4E 2130/4885TDP1 3273/4885

“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.