SCHEMBL1472881

SCHEMBL1472881

O=C(O)C(=O)c1n[nH]c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 5/20 0.64
WNT3A P56704 5/20 0.64
FLT3 P36888 2/20 0.61
CCNA2 P20248 1/20 0.61
CDK2 P24941 1/20 0.61
CCNA1 P78396 1/20 0.61
KDM4E B2RXH2 5/20 0.60
YTHDC1 Q96MU7 1/20 0.60
STAT3 P40763 1/20 0.60
HIF1A Q16665 1/20 0.60
IDO1 P14902 1/20 0.58
NPC1 O15118 4/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 1/20 0.54
EPHB3 P54753 1/20 0.51
MAP2K4 P45985 1/20 0.50

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
SCHEMBL29444537 0.85 FLT3 (0.65) CTNNB1WNT3AFLT3CCNA2CDK2
SCHEMBL42245 0.85 FLT3 (0.65) CTNNB1WNT3AFLT3CCNA2CDK2
Potassium Ion SCHEMBL2688939 0.84 KDM4E (0.63) CTNNB1WNT3AFLT3CCNA2CDK2
SCHEMBL1762971 0.84 KDM4E (0.58) CTNNB1WNT3AFLT3CCNA2CDK2
Hydrochloric Acid SCHEMBL4258298 0.83 FLT3 (0.63) CTNNB1WNT3AFLT3CCNA2CDK2
SCHEMBL27541852 0.83 FLT3 (0.63) CTNNB1WNT3AFLT3CCNA2CDK2
SCHEMBL7668372 0.82 KDM4E (0.66) CTNNB1WNT3AFLT3CCNA2CDK2
SCHEMBL31148407 0.82 KDM4E (0.66) CTNNB1WNT3AFLT3CCNA2CDK2
Oxalic Acid SCHEMBL6033591 0.82 FLT3 (0.58) CTNNB1WNT3AFLT3CCNA2CDK2
Hydrazine SCHEMBL27690059 0.81 FLT3 (0.61) CTNNB1WNT3AFLT3CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
WO-2008134036-A1 ALPHA-SUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-α]PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed
WO-2008134035-A1 ALPHA-UNSUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-A] PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY 2008-08-07 US disclosed
EP-1638568-A4 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2008-08-06 EP disclosed
US-20050075364-A1 Indole, azaindole and related heterocyclic N-substituted piperazine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2005-04-07 US disclosed
EP-1513832-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES Bristol-Myers Squibb Company (US) 2005-03-16 EP disclosed
WO-2005004801-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-20 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives THPO, DPYD, TPMT CTNNB1 3067/4885WNT3A 4613/4885FLT3 767/4885
US-20050075364-A1 Indole, azaindole and related heterocyclic N-substituted piperazine derivatives IDO2, IDO1, INMT CTNNB1 3262/4885WNT3A 3114/4885FLT3 2637/4885
US-20040063744-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT CTNNB1 2501/4885WNT3A 1473/4885FLT3 2976/4885
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES IDO1, IDO2, INMT CTNNB1 2665/4885WNT3A 1654/4885FLT3 2415/4885
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT CTNNB1 2501/4885WNT3A 1473/4885FLT3 2976/4885
US-20040006090-A1 Indole, azaindole and related heterocyclic sulfonylureido piperazine derivatives IDO1, IDO2, INMT CTNNB1 965/4885WNT3A 449/4885FLT3 3081/4885
US-20040063746-A1 Indole, azaindole and related heterocyclic ureido and thioureido piperazine derivatives IDO1, IDO2, TPMT CTNNB1 2703/4885WNT3A 851/4885FLT3 4372/4885

“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.