SCHEMBL2179962

SCHEMBL2179962

O=C(O)CNc1ncccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.58
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50
AGER Q15109 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 2/20 0.49
NPC1 O15118 3/20 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
SCHEMBL4712895 0.87 ALDH1A1 (0.66) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL14399048 0.87 DHODH (0.55) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL4611285 0.84 DHODH (0.60) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL14399059 0.84 KDM4E (0.60) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6168326 0.83 DHODH (0.58) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL4611740 0.83 DHODH (0.58) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL15597364 0.82 KDM4E (0.49) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL15589682 0.82 KDM4E (0.46) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL8826118 0.80 KDM4E (0.75) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6168145 0.80 KDM5B (0.66) DHODHMEN1KMT2AKDM4ETDP1

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 13 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-20110166174-A1 COMPOUNDS MODULATING C-KIT AND C-FMS ACTIVITY AND USES THEREFOR PLEXXIKON, INC. 2011-07-07 US disclosed
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
US-7846941-B2 Compounds modulating c-kit and c-fms activity and uses therefor PLEXXIKON, INC. (US) 2010-12-07 US disclosed
US-7846941-B2 Compounds modulating c-kit and c-fms activity and uses therefor PLEXXIKON, INC. (US) 2010-12-07 US disclosed
CN-101223169-A Pyrrolo [2, 3-b ] pyridine derivative protein kinase inhibitors PLEXXIKON INC (US) 2008-07-16 CN 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
US-20070032519-A1 Compounds modulating c-kit and c-fms activity and uses therefor PLEXXIKON, INC. 2007-02-08 US 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
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 DHODH 1335/4885MEN1 1306/4885KMT2A 865/4885
US-20070032519-A1 Compounds modulating c-kit and c-fms activity and uses therefor KIT, FLT3, FLT1 DHODH 1335/4885MEN1 1306/4885KMT2A 865/4885

“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.