SCHEMBL2643076

SCHEMBL2643076

O=C(c1c[nH]c2cc(F)ccc12)C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.64
TDO2 P48775 6/20 0.50
PIM3 Q86V86 1/20 0.49
MAP2K4 P45985 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GPR84 Q9NQS5 1/20 0.47
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44
IDO1 P14902 1/20 0.44
HTR2A P28223 1/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL14631235 0.87 MAPK1 (0.64) MAPK1PIM3KDM4EGPR84ALDH1A1
SCHEMBL4238805 0.86 TDO2 (0.49) MAPK1TDO2KDM4EGPR84ALDH1A1
SCHEMBL30417250 0.83 KDM4E (0.66) TDO2KDM4EGPR84MEN1ALDH1A1
SCHEMBL2818109 0.83 KDM4E (0.66) TDO2KDM4EGPR84MEN1ALDH1A1
SCHEMBL2643312 0.83 MAPK1 (0.62) MAPK1PIM3KDM4EMEN1ALDH1A1
SCHEMBL14631607 0.83 MAPK1 (0.62) MAPK1PIM3GPR84MEN1ALDH1A1
SCHEMBL613310 0.83 MAPK1 (0.62) MAPK1PIM3GPR84MEN1ALDH1A1
SCHEMBL29644278 0.83 MEN1 (0.65) MAPK1PIM3MEN1ALDH1A1CYP1A2
SCHEMBL2133676 0.83 MEN1 (0.65) MAPK1PIM3MEN1ALDH1A1CYP1A2
SCHEMBL2642973 0.83 MAPK1 (0.62) MAPK1PIM3MEN1ALDH1A1CYP1A2

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
EP-3083588-B1 AROMATIC HETEROCYCLIC COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO LTD (CN) 2020-12-09 EP disclosed
US-9676715-B2 Bis-indolic derivatives, a process for preparing the same and their uses as a drug UNIVERSITE JOSEPH FOURIER (FR) 2017-06-13 US disclosed
US-9663498-B2 Aromatic heterocyclic compounds and their application in pharmaceuticals SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-05-30 US disclosed
US-20160251339-A1 AROMATIC HETEROCYCLIC COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-09-01 US disclosed
US-20140309272-A1 BIS-INDOLIC DERIVATIVES, A PROCESS FOR PREPARING THE SAME AND THEIR USES AS A DRUG UNIVERSITE JOSEPH FOURIER (FR) 2014-10-16 US disclosed
EP-2548864-B1 NOVEL BIS-INDOLIC DERIVATIVES, A PROCESS FOR PREPARING THE SAME AND THEIR USES AS A DRUG UNIV JOSEPH FOURIER (FR) 2014-02-19 EP disclosed
WO-2013014102-A1 BIS-INDOLIC DERIVATIVES, A PROCESS FOR PREPARING THE SAME AND THEIR USES AS A DRUG UNIVERSITE JOSEPH FOURIER (FR) 2013-01-31 WO disclosed
EP-2548864-A1 NOVEL BIS-INDOLIC DERIVATIVES, A PROCESS FOR PREPARING THE SAME AND THEIR USES AS A DRUG Université Joseph Fourier (FR) 2013-01-23 EP disclosed
EP-1549638-B1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS HOFFMANN LA ROCHE (CH) 2007-10-03 EP disclosed
EP-1549638-A1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-07-06 EP disclosed
US-6881844-B2 Indole-3-carboxamides as glucokinase activators HOFFMAN-LA ROCHE INC. (US) 2005-04-19 US disclosed
WO-2004031179-A1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-15 WO disclosed
US-20040067939-A1 Indole-3-carboxamides as glucokinase activators CORBETT WENDY LEA (US) 2004-04-08 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 (3 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-20040067939-A1 Indole-3-carboxamides as glucokinase activators GCKR, GPR119, GCK MAPK1 1197/4885TDO2 208/4885PIM3 734/4885
US-20160251339-A1 AROMATIC HETEROCYCLIC COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS MAPT, APP, PSEN1 MAPK1 2363/4885TDO2 136/4885PIM3 3243/4885
US-20140309272-A1 BIS-INDOLIC DERIVATIVES, A PROCESS FOR PREPARING THE SAME AND THEIR USES AS A DRUG IDO1, ITPA, IDO2 MAPK1 3685/4885TDO2 30/4885PIM3 973/4885

“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.