SCHEMBL4523141

SCHEMBL4523141

CCNC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.43
HIF1A Q16665 3/20 0.43
ATM Q13315 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
HTT P42858 1/20 0.41
GAA P10253 1/20 0.40
LPAR1 Q92633 1/20 0.40
PKM P14618 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
SCHEMBL21198240 0.86 HIF1A (0.42) KDM4EMAPTALDH1A1LMNAHIF1A
SCHEMBL1674041 0.86 HIF1A (0.40) KMT2AKDM4EMEN1MAPTHIF1A
SCHEMBL21202188 0.85 HTT (0.59) KMT2AMEN1MAPTALDH1A1HIF1A
SCHEMBL12107159 0.84 HIF1A (0.44) HIF1AGAA
SCHEMBL16907820 0.84 HTT (0.52) ALDH1A1HIF1AHTTGAAPKM
SCHEMBL2073317 0.84 HIF1A (0.46) ALDH1A1LMNAHIF1AHTTGAA
SCHEMBL1743265 0.84 HSD17B1 (0.47) KMT2AMEN1MAPTALDH1A1HIF1A
SCHEMBL18250078 0.83 LPAR1 (0.43) KMT2AKDM4EMAPTALDH1A1LMNA
SCHEMBL15141616 0.83 CA1 (0.47) LMNAHIF1AGAAPKM
SCHEMBL18216864 0.83 HIF1A (0.48) KMT2AMEN1MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP disclosed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 US disclosed
EP-3740493-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP disclosed
CN-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 CN disclosed
EP-1904478-B1 ACID ADDITION SALTS OF N-ETHYL-N'-[2-METHOXY-4-(5-METHYL-4-{[(1S)-1-PYRIDIN-3-YLBUTYL]AMINO}PYRIMIDIN- 2-YL)PHENYL]UREA AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY (AU) 2013-07-24 EP disclosed
US-20090281119-A1 ACID ADDITION SALTS OF N-ETHYI-N'-[2-METHOXY-4-(5-METHYI-4-PRYIMIDIN-2-YL)PHENYL]UREA AND USES THEREOF CYTOPIA RESEARCH PTY LTD. (AU) 2009-11-12 US disclosed
EP-1904478-A1 ACID ADDITION SALTS OF N-ETHYL-N'-[2-METHOXY-4-(5-METHYL-4-{[(1S)-1-PYRIDIN-3-YLBUTYL]AMINO}PYRIMIDIN- 2-YL)PHENYL]UREA AND USES THEREOF Cytopia Research Pty Ltd (AU) 2008-04-02 EP disclosed
WO-2006133498-A1 ACID ADDITION SALTS OF N-ETHYI-N'-[2-METHOXY-4-(5-METHYI-4-{[(1S)-1-PYRIDIN-3-YLBUTYI]AMINO}PYRIMIDIN- 2-YL)PHENYL]UREA AND USES THEREOF CYTOPIA RESEARCH PTY LTD (AU) 2006-12-21 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-20090281119-A1 ACID ADDITION SALTS OF N-ETHYI-N'-[2-METHOXY-4-(5-METHYI-4-PRYIMIDIN-2-YL)PHENYL]UREA AND USES THEREOF PAH, CCNY, UMPS KMT2A 694/4885KDM4E 194/4885MEN1 615/4885
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 KMT2A 1208/4885KDM4E 1391/4885MEN1 2966/4885

“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.