SCHEMBL1473464

SCHEMBL1473464

COc1cnc(C#CC(C)O)c2[nH]ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFB P00751 3/20 0.35
CCNE2 O96020 2/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
ACACB O00763 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
LMNA P02545 2/20 0.31
ADRB2 P07550 2/20 0.31
ADRB1 P08588 2/20 0.31
HTR1A P08908 2/20 0.31
ADRB3 P13945 2/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
CYP2D6 P10635 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL1474036 0.78 MTNR1A (0.34) CFBJAK2JAK1TYK2JAK3
SCHEMBL12828491 0.77 DYRK1A (0.42) CFBJAK2JAK1TYK2JAK3
SCHEMBL1473045 0.77 CFB (0.40) CFBKDM4EBRD4
SCHEMBL3570127 0.73 BRD4 (0.36) CFBJAK2JAK1TYK2JAK3
SCHEMBL10326422 0.71 ABL1 (0.37) CFBJAK2JAK1TYK2JAK3
SCHEMBL10292445 0.71 PIK3C3 (0.39) CFBBRD4
SCHEMBL1473221 0.71 BRD4 (0.40) CFBCYP2C9MEN1KMT2ABRD4
SCHEMBL1473430 0.70 DYRK1A (0.41) CFBCYP1A2CYP3A4LMNAKDM4E
Hydrochloric Acid SCHEMBL3558795 0.70 BRD4 (0.39) CFBCYP2C9MEN1KMT2ABRD4
SCHEMBL1472560 0.70 BRD4 (0.37) CFBJAK1TYK2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY 2008-08-07 US disclosed
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY 2008-08-07 US disclosed
US-7348337-B2 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348337-B2 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US 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

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-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES IDO1, IDO2, INMT CFB 4331/4885CCNE2 320/4885CCNE1 262/4885
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT CFB 4584/4885CCNE2 217/4885CCNE1 159/4885

“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.