SCHEMBL1949264

SCHEMBL1949264

Cc1ccc(COc2ccccc2-c2c[nH]cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.48
IDO1 P14902 1/20 0.44
SYK P43405 1/20 0.44
KMT2A Q03164 2/20 0.43
MAOB P27338 1/20 0.42
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
TLR4 O00206 1/20 0.40
TLR3 O15455 1/20 0.40
TLR5 O60602 1/20 0.40
TLR2 O60603 1/20 0.40
CAMK2B Q13554 1/20 0.40

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
SCHEMBL1948178 0.88 BRD4 (0.56) BRD4IDO1KMT2AMAPTL3MBTL1
SCHEMBL12676451 0.87 KMT2A (0.55) BRD4IDO1KMT2AMAPTALDH1A1
SCHEMBL12676751 0.86 IDO1 (0.46) BRD4IDO1SYKMAOBMAPT
SCHEMBL1948653 0.86 SMN1; SMN2 (0.47) BRD4IDO1KMT2AMAPTL3MBTL1
SCHEMBL1950676 0.85 SGMS2 (0.50) BRD4IDO1MAOBMAPTL3MBTL1
SCHEMBL13517522 0.84 IDO1 (0.48) BRD4IDO1KMT2AALDH1A1SMN1; SMN2
SCHEMBL25080893 0.83 PTGER1 (0.49) BRD4IDO1KMT2A
SCHEMBL12676454 0.83 PTPN1 (0.43) BRD4IDO1KMT2AMAOB
SCHEMBL1949033 0.83 MAOB (0.46) BRD4IDO1KMT2AMAOBALDH1A1
SCHEMBL12544297 0.83 BRD4 (0.42) BRD4IDO1KMT2AALDH1A1ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US claimed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US claimed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 US disclosed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
WO-2009132238-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-10-29 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-20140323740-A1 IDO Inhibitors IDO1, IDO2, INMT BRD4 927/4885IDO1 1/4885SYK 1983/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT BRD4 927/4885IDO1 1/4885SYK 1983/4885

“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.