SCHEMBL1472885

SCHEMBL1472885

O=C(O)C(=O)c1nc2ccccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.58
JAK2 O60674 1/20 0.58
ABL1 P00519 1/20 0.58
NTRK1 P04629 1/20 0.58
LCK P06239 1/20 0.58
FYN P06241 1/20 0.58
CSF1R P07333 1/20 0.58
RET P07949 1/20 0.58
IGF1R P08069 1/20 0.58
MET P08581 1/20 0.58
PDGFRB P09619 1/20 0.58
PIM1 P11309 1/20 0.58
FGFR1 P11362 1/20 0.58
PRKACA P17612 1/20 0.58
KDR P35968 1/20 0.58
MAP2K2 P36507 1/20 0.58
CDK8 P49336 1/20 0.58
GSK3A P49840 1/20 0.58
GSK3B P49841 1/20 0.58
CDK7 P50613 1/20 0.58

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
SCHEMBL29414293 0.85 AURKA (0.61) AURKAJAK2ABL1NTRK1LCK
SCHEMBL160155 0.85 AURKA (0.61) AURKAJAK2ABL1NTRK1LCK
Hydrochloric Acid SCHEMBL3808279 0.83 AURKA (0.59) AURKAJAK2ABL1NTRK1LCK
SCHEMBL28300126 0.83 AURKA (0.59) AURKAJAK2ABL1NTRK1LCK
Water SCHEMBL16239370 0.83 AURKA (0.59) AURKAJAK2ABL1NTRK1LCK
SCHEMBL250171 0.82 CCND3 (0.70) AURKAJAK2ABL1NTRK1LCK
SCHEMBL27291152 0.82 AURKA (0.54) AURKAJAK2ABL1NTRK1LCK
Hydrochloric Acid SCHEMBL7000982 0.81 CCND3 (0.68) AURKAJAK2ABL1NTRK1LCK
SCHEMBL5358948 0.81 AURKA (0.61) AURKAJAK2ABL1NTRK1LCK
SCHEMBL18866432 0.81 MAPT (0.56) AURKAJAK2ABL1NTRK1LCK

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2143727-B1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARM INC (US) 2015-01-21 EP disclosed
EP-1513832-B1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL MYERS SQUIBB CO (US) 2014-03-05 EP disclosed
EP-1575493-B1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC SULFONYLUREIDO PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2013-12-11 EP disclosed
US-8236807-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-08-07 US disclosed
US-8039486-B2 Viricides, immunomodulators or HIV entry inhibitors; lymphadenopathy associated virus, human T-cell leukemia/lymphoma virus; AIDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
EP-1638568-B1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2011-07-27 EP disclosed
US-RE42375-E1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2011-05-17 US disclosed
US-7915283-B2 e.g. 1-[4-(1-Phenyl-1-(pyrazinyl)-methylene)-piperidin-1-yl]-2-(4-methoxy-7-pyrazinyl-6-azaindol-3-yl)-ethane-1,2-dione; viricides for prophylaxis of lympadenopathy associated virus; synergystic mixtures with immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 US disclosed
US-20100015092-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS NAKAJIMA SUANNE 2010-01-21 US disclosed
EP-2143727-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors Enanta Pharmaceuticals, Inc. (US) 2010-01-13 EP disclosed
WO-2004093798-A2 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-11-04 WO disclosed
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-09-23 US disclosed
WO-2004043337-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
US-20040063744-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-04-01 US disclosed
US-20040063746-A1 Indole, azaindole and related heterocyclic ureido and thioureido piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
WO-2004011425-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC UREIDO AND THIOUREIDO PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-05 WO disclosed
US-20040006090-A1 Indole, azaindole and related heterocyclic sulfonylureido piperazine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-01-08 US disclosed
WO-2004000210-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC SULFONYLUREIDO PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-31 WO disclosed
EP-0008626-B1 AMMONIUM SALTS OF ALPHA-KETOCARBOXYLIC ACIDS, THEIR USE IN THE PREPARATION OF AMINES AND COATING MATERIALS CONTAINING THEM BAYER AG (DE) 1981-07-29 EP disclosed
EP-0008626-A1 Ammonium salts of alpha-ketocarboxylic acids, their use in the preparation of amines and coating materials containing them BAYER AG (DE) 1980-03-19 EP 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 (5 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-20100015092-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, HPN AURKA 3659/4885JAK2 804/4885ABL1 710/4885
US-20040063744-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT AURKA 691/4885JAK2 1209/4885ABL1 393/4885
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT AURKA 691/4885JAK2 1209/4885ABL1 393/4885
US-20040006090-A1 Indole, azaindole and related heterocyclic sulfonylureido piperazine derivatives IDO1, IDO2, INMT AURKA 2478/4885JAK2 773/4885ABL1 1450/4885
US-20040063746-A1 Indole, azaindole and related heterocyclic ureido and thioureido piperazine derivatives IDO1, IDO2, TPMT AURKA 2856/4885JAK2 2598/4885ABL1 2349/4885

“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.